n use pdb2gmx.
Andreas
From: gmx-users-boun...@gromacs.org [gmx-users-boun...@gromacs.org] On Behalf
Of shahid nayeem [msnay...@gmail.com]
Sent: 08 August 2011 06:23
To: Discussion list for GROMACS users
Subject: [gmx-users] Adding_topology_aminoacid
Dear
Dear All
I am solvating my protein in a cubical box with a .gro file containing water
and one amino acidX. when I run grompp I get error "No such moleculetype
aminoacidX" . Should I create de novo .itp file for the amino acidX on
proDrg because I tried to include ffbonded.itp and ffnonbonded.itp in
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