On 2/19/13 2:39 PM, amna khan wrote:
hello sir,
i want to ask you i have GNERATED the ligand topolagy file by ATB
and converting the optimized pdb to gro
by editconf, it doesnot generated the volecities for ligand ,
why is this ?
Because editconf has no business generating velocities. Velocities are
irrelevant until using grompp.
-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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