[gmx-users] NO velocities for ligand
jalemkul at vt.edu
Tue Feb 19 20:40:41 CET 2013
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 A. Lemkul, Ph.D.
Department of Biochemistry
jalemkul[at]vt.edu | (540) 231-9080
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