On Mon, 2014-04-28 at 17:24 +0530, HM wrote:
> Hi All,
> I am using Amber12 to do all atom MD simulation of my protein of interest.
> I generated the restart file using cpptraj from trajectory file (mdcrd
> file) using following script:
>
> trajin prod7.mdcrd 298 298 1
> trajout prod7.rst restart
>
>
> When I continued simulation using generated restart file I got error:
>
>
> FATAL: Could not read velocities from prod7.rst
>
> Suggest me how to get rid of this error:
Use irest=0 and ntx=1 in your &cntrl section of your sander input file.
Trajectory files typically do not contain velocity information, so your
restart file will not have any velocities present.
Good luck,
Jason
--
Jason M. Swails
BioMaPS,
Rutgers University
Postdoctoral Researcher
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Received on Mon Apr 28 2014 - 05:30:05 PDT
