[gmx-users] intermolecular H bond selection
Justin A. Lemkul
jalemkul at vt.edu
Sat May 19 02:57:53 CEST 2012
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 A. Lemkul, Ph.D.
Department of Biochemistry
jalemkul[at]vt.edu | (540) 231-9080
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