On 10/31/12 6:02 AM, bipin singh wrote:
Hello all,
Is there any way to calculate fraction of native contacts during the
simulation in gromacs. I searched the archives but didn't found any
significant clue.
At present, there is no way to do this. Likely one could modify the g_mindist
code to do this - it would be a very nice feature.
-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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