[AMBER] velocity information in restart file

From: HM <scienceamber.gmail.com>
Date: Mon, 28 Apr 2014 17:24:29 +0530

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:

Thanks,
Hakuna Matata
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Received on Mon Apr 28 2014 - 05:00:04 PDT
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