On 1/8/13 7:25 PM, Payman Pirzadeh wrote:
I had modified three files: aminoacids.rtp, aminoacids.hdb and
residuetypes.dat. All these modifications were done prior running pdb2gmx.
So, I will be glad if you could let me know what the problem is.
From that description, everything should be fine. Are you making local
modifications (i.e. in the working directory with a copy of the force field) or
making modifications in $GMXLIB?
-Justin
--
========================================
Justin A. Lemkul, Ph.D.
Research Scientist
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin
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