QuantumATK Forum

QuantumATK => General Questions and Answers => Topic started by: Raj on February 14, 2017, 01:51

Title: VNL with GROMACS
Post by: Raj on February 14, 2017, 01:51

I am using GROMACS to run molecular dynamics simulations. In one of my simulations, I need to create a tethered FCC lattice surface. I am trying to use VNL to create the surface. But I am unable to import the .cif file into GROMACS. How can I do that? GROMACS supports .pdb files which is similar to the .cif file format.

Title: Re: VNL with GROMACS
Post by: Ulrik G. Vej-Hansen on February 14, 2017, 09:09

If you provide the .cif file, we can check if something should be wrong with it, but otherwise, it is really a question for GROMACS support. The .cif format  is a widely used file-format.

Title: Re: VNL with GROMACS
Post by: Anders Blom on February 14, 2017, 20:07

PDB is not really similar to CIF...