[gmx-users] NO velocities for ligand

Justin Lemkul 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.
Research Scientist
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080


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