From: Jessen Lucas (jessenlucas0_at_gmail.com)
Date: Mon Oct 26 2015 - 02:25:49 CDT
Thanks Norman, Is there any explanation for that, I feel confusion about
it, I saw source $namd_config_file in replica.namd, if it not work at each
timestep, how does it run MD in each replica?
Best regards,
J. Lucas
2015-10-26 15:11 GMT+08:00 Norman Geist <norman.geist_at_uni-greifswald.de>:
> No. Please check the example simulation that comes with the namd source.
>
>
>
> Norman Geist
>
>
>
> *Von:* owner-namd-l_at_ks.uiuc.edu [mailto:owner-namd-l_at_ks.uiuc.edu] *Im
> Auftrag von *Jessen Lucas
> *Gesendet:* Montag, 26. Oktober 2015 07:30
> *An:* namd-l_at_ks.uiuc.edu
> *Betreff:* namd-l: replica exchange module
>
>
>
> Dear NAMD users,
>
>
>
> I want to use replica exchange module, I read codes in replica.namd and
> swarm.namd from tutorial files.
>
>
>
> I was confused about how to set up and run each replica configuration. my
> diea is
>
>
>
> replicaBarrier
>
> temperature 300 + $replica_id
>
> source $namd_config_file
>
> puts $replica_id
>
> replicaBarrier
>
>
>
> So will source $namd_config_file every MD timestep? I do not what the
> workflow is in here.
>
> Is it right? I am new to NAMD, please give me some suggestion of replica
> exchange module.
>
>
>
> Thanks,
>
> J. Lucas
>
>
>
>
>
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