On 1/29/13 4:04 PM, amna khan wrote:
yes i have following this tutorial , the only difference i made is that i
didn't change the charges for ligand file.
it seems it is necessary to do this ?
Absolutely. I have never seen a PRODRG topology that was correct without
modification, even for the simplest molecules.
-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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