[gmx-users] How to construct non-standard protein PDB file?

Eva Stefanekova dlahacik at pobox.sk
Mon Aug 26 05:40:15 CEST 2002

I am new in the field of molecular dynamics and working on a small task. I
need to make an simulation in which I have to use
acetyl-Lys2-Gly-Leu24-Lys2-Ala-amid. I did not find such kind of protein on
PDB (www.pdb.org). In the GROMACS manual I have found that people usually
download their PDB files from www.pdb.org.

My question is: "How to use Hyperchem 7.0 PDB (ENT) file in GROMACS? Is it
even possible to convert Hyperchem 7.0 PDB file for use in GROMACS?"

Eva Stefanekova

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