[gmx-users] new molecule with non standard residues and its solvation

jiri vondrasek jirka at uochb.cas.cz
Mon Jun 16 11:36:01 CEST 2003

Hi all
I am quite unexperienced in GROMACS so the question is probably stupid.
I am trying to simulate a molecule with non standard residues (about
300atoms) in solvent. The problem is that I do not know what kind and
number of files I need for successful gromacs run. I have already
created topology file and gro files at PRODRG. My question is - what's
next? I am reading gmx manual and some tutorials - unfortunately I was
not able to find any relevant information till now.Thanks
jiri vondrasek <jirka at uochb.cas.cz>

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