AMBER Archive (2002)

Subject: restart without velocities

From: Michal Otyepka (otyepka_at_aix.upol.cz)
Date: Wed Oct 02 2002 - 02:39:02 CDT

Dear AMBERs,

I wonder if is it possible to gain velocities from CRD files? I have 1000
ps long trajectory but i would like to restart (irest=1, ntx=7) the system
(to generate longer trajectory), unfortunately, I lost the last file with
coordinates and velocities. Restart of the system with velocities
generation does not work properly because the behavior of the
system is different.

Please help me.

Many thanks in advance, Michal

      
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