On 7/19/12 6:17 AM, [email protected] wrote:
Hi Justin,
thank you for your answer.
I already tried the -ss command but nothing happens. The program just
writes the topology file but it does not ask me anything. My command was:
pdb2gmx -f protOnly.pdb -o 3m71.gro -p 3m71.top -ss -water tip3p -ff amber03
is there something wrong with this command?
No, it's fine. How many cysteines are in the structure?
-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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