[gmx-users] CT3 terminal

Sai Pooja saipooja at gmail.com
Mon Oct 25 22:25:49 CEST 2010


I use pdb2gmx command to convert a pdb file to a .gro and .top file(using
CHARMM forcefield). For the C terminus, I use the CT3 option which is NCH3.
When I use editconf to get a pdbfile from the .gro file generated, the C=0
and the NCH3  seem to clash in space in pymol.

Is there a way of correcting this?


Quaerendo Invenietis-Seek and you shall discover.
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