AW: Problem with replica exchange

From: Norman Geist (norman.geist_at_uni-greifswald.de)
Date: Tue Dec 17 2013 - 05:43:32 CST

This parameter is 1st available from NAMD 2.10. So you need to use a
developer version of NAMD or use the old tcl server implementation.

Norman Geist.

> -----Ursprngliche Nachricht-----
> Von: owner-namd-l_at_ks.uiuc.edu [mailto:owner-namd-l_at_ks.uiuc.edu] Im
> Auftrag von Michal Skoczek
> Gesendet: Dienstag, 17. Dezember 2013 11:58
> An: namd-l_at_ks.uiuc.edu
> Betreff: namd-l: Problem with replica exchange
>
>
> Hi all,
>
> I have posted that question while ago and no answer given, thats why I
> am
> asking again...
>
> I am having an issue with replica exchange simulations.When I run the
> example command located in fold_alanin.conf,using the +replicas flag
> throws the error:
>
> Charm++ fatal error:
> FATAL ERROR: Unknown command-line option +replicas
>
> I'm using the latest NAMD_2.9_Linux-x86_64-multicore-CUDA binary and
> simply attempting to run on my local workstation (CPU i7 960, GPU
> GeForce
> GTX 580, Ubuntu 12.04 64-bit).
>
> - Is this the wrong NAMD binary or is there something else that
> I am missing here?
> - Should I compile NAMD from the source ?
> - Do I need any extra libraries or should I move the existing ones
> (lib/replica) to another catalogue?
>
> I can provide any details that seem relevant. Any help regarding this
> subject would be greatly appreciated!
>
> Many thanks,
> Michal Skoczek
> PhD Student

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