QuantumATK Forum
QuantumATK => General Questions and Answers => Topic started by: Raj on February 14, 2017, 01:51
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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.
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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.
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PDB is not really similar to CIF...