On 5/18/12 7:22 PM, mu xiaojia wrote:
Hi gmx-users,
I have a question might be explained before but I cannot understand from the
previous , how to calculation the intermolecular h-bonds between two molecules?
I saw someone mentioned using a second tpr file, but how to do it specifically?
Thanks very much!
g_hbond asks for two index groups to be selected. Assign each molecule to an
index group and select them when prompted.
-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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