[gmx-users] A simple question
s_poorasad at yahoo.com
Mon Apr 13 08:30:08 CEST 2015
Dear Gromacs users .
Today is the first day that i am working with GROMACS .I want to have a system with one C60 and about 1000 water molecules .I tried to use pdb2gmx on C60.pdb but I got fatal error , I think the problem is because of my PDB file .I want to define C-delta atom of the aromatic tryptophan amino acid for C60 carbons and i want to use oplsaa force field.
Can you please let me know what the problem is ?
I have attached my PDB file with this Email.
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