Messages

46

Installation and License Questions / Re: Problem with installing atk2008.10.0

« on: March 4, 2009, 09:43 »

it remains even if for root

47

Installation and License Questions / Re: Problem with installing atk2008.10.0

« on: March 3, 2009, 11:44 »

Our system CENTOS 5.2 only consists of "/etc/iptable-conf"
and I add above sentence
"-A RH-Firewall-1-INPUT -m state --state NEW -m tcp -p tcp --dport 27000:27009 -j ACCEPT"
to its end, however, it display language error for "-A" when we restart iptable,why? how to solve ?

48

Installation and License Questions / Re: Problem with installing atk2008.10.0

« on: March 3, 2009, 02:32 »

for centOS 5.2, we dont find the file "pfilter.conf" and any simillar one, then we create a file and rename it as "pfilter.conf", which says:
OPEN tcp 27000:27009
OPEN udp 27000:27009
However I dont open "service pfliter restart" latter?
Faced to the problem, how can we do?Thank you very much!
we are worried about it for server weeks in ATK installation!

49

Installation and License Questions / Re: Problem with installing atk2008.10.0

« on: March 3, 2009, 01:53 »

CENTOS 5.2

50

General Questions and Answers / Re: vnl file is larger, how to read it?

« on: January 14, 2009, 15:31 »

 
I run it adding a line, however, it remains

51

General Questions and Answers / Re: vnl file is larger, how to read it?

« on: January 14, 2009, 15:22 »

I have run it however it display the same error! this time I correct the name of my vnl file is "voltage_drop.vnl" , and run it .

52

General Questions and Answers / Re: vnl file is larger, how to read it?

« on: January 14, 2009, 15:05 »

I can see your updated script, Can you attach it here?
thank you very much!

53

General Questions and Answers / Re: vnl file is larger, how to read it?

« on: January 14, 2009, 14:55 »

THANK YOU VERY MUCH!
I modify the name of VNL, and run it on my computer, however, it displays :
Traceback (most recent call last):
File "save_my_data_from_vnl.py",line 15,in ?
t['Real Space Effective Potential-Real Space Effective Potential Voltage Drop']
KeyError:''Real Space Effective Potential-Real Space Effective Potential Voltage Drop'
How to deal with it? Thanks a lot!!!

54

General Questions and Answers / Re: vnl file is larger, how to read it?

« on: January 13, 2009, 14:42 »

Thank you for your advice! however, I dont know how to extract data from VNL file such as VoltageDrop.vnl which is larger about 150MB?

55

Installation and License Questions / Re: how to install VNL 2008.10 tried on linux(foroda6)

« on: January 13, 2009, 14:10 »

can the window license of vnl work on linux(fc6)? does it despond on system(windows or linux) and machine MAC address?Thank you!
how to install the license file on server with 8 CPU?

56

General Questions and Answers / Re: vnl file is larger, how to read it?

« on: January 13, 2009, 14:04 »

However, I directly drop the vnl file to nanoscope, it display not enough memory! my system is windowXP, I dont know how to install in linux?

57

Installation and License Questions / how to install VNL 2008.10 tried on linux

« on: January 13, 2009, 13:32 »

how to install VNL 2008.10 tried on linux(foroda6)?  I don't understand what says in guide book!
Thank you very much!!!

58

General Questions and Answers / vnl file is larger, how to read it?

« on: January 13, 2009, 13:27 »

recently we calculated a model with about 200 atoms, we can get its voltage drop file, however, it is about 150MB, so it doesn't read on my computer(4G memory),it shows the memory is not enough! how
to deal with  it?Thank you very much!!!

59

General Questions and Answers / Re: Some questions about "MolecularEnergySpectrum"

« on: January 6, 2009, 02:29 »

the HOMO and the LUMO level of molecule is judged by its EigenstateOccupations!

60

General Questions and Answers / Re: How to deal with 2 different electrode?

« on: December 30, 2008, 02:18 »

let me see！Thanks a lot! can you give me your email or other affiliation ?