From: Jerry Xu (jerry_at_oban.biosc.lsu.edu)
Date: Fri May 06 2005 - 11:28:33 CDT
Hi, Dear NAMD users:
I have similar question about how to restart/continue the NAMD run,
is there anybody kind enough to offer a complete sample script and
comment on each "key" command line? That will be so much useful for
newbie like me. Thanks a lot!
Sincerely,
Jerry
On Thu, 2005-05-05 at 21:52, Boyang Wang wrote:
> Yes, it helps. I saved the output in binary file bcz it seems that
> only binary file works well in our cluster.
> Thanks.
> Boyang.
>
> Michel Espinoza-Fonseca <mef_at_ddt.biochem.umn.edu> 写道：
> You have to specify restartname if you want to create restart
> files of your subsequent simulations. If you’re restarting
> your simulation using restart files, you have to specify
> “coordinates”, “velocities” and “extendedSystem” (if you’re
> saving your restart files in binary format, you have to write
> “bincoordinates” and “binvelocities”, instead of “coordinates”
> and “velocities”… the extended system file is written in plain
> text)
>
>
>
> Hope it helps,
>
> Peace,
>
> Michel
>
>
>
>
> ______________________________________________________________
>
> From: owner-namd-l_at_ks.uiuc.edu
> [mailto:owner-namd-l_at_ks.uiuc.edu] On Behalf Of Boyang Wang
> Sent: Thursday, May 05, 2005 7:19 PM
> To: namd-l_at_ks.uiuc.edu
> Subject: namd-l: Restartname
>
>
>
>
> Hi all. Do I have to specify the "restartname" if I restart
> namd from previously saved output.coor and output.vel files?
>
>
> Thanks.
>
>
> Boyang
>
>
>
>
>
> ______________________________________________________________
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> ______________________________________________________________________
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