From: Norman Geist (norman.geist_at_uni-greifswald.de)
Date: Tue Jan 29 2013 - 00:24:26 CST
> -----Ursprüngliche Nachricht-----
> Von: owner-namd-l_at_ks.uiuc.edu [mailto:owner-namd-l_at_ks.uiuc.edu] Im
> Auftrag von johan strumpfer
> Gesendet: Montag, 28. Januar 2013 09:02
> An: Jörg Schönfelder
> Cc: NAMD
> Betreff: namd-l: Re: Question about NAMD
> Hi Jörg,
> As far as I remember, the constant force file doesn't need to be
> The atomic position columns in the ref file (which is actually a pdb
> correspond to the pulling force vectors for each atom and thus should
> be changed if a different force is to be applied.
> (You are correct about the constant velocity simulation requiring
> files but only if you restart your time counter at zero with every
> restarted simulation! If, on the other hand, you set the first timestep
> value "firsttimestep xxx" to that of of the last timestep in the
> simulation then the constant velocity ref file must not to be updated).
> All the best,
> p.s. I've cc'd the namd-list here so that they can correct me in case
> info is inaccurate / out of date.
Shouldn't we all keep the list in cc in every post? Isn't that the sense of a mailing list?
> On Sun, Jan 27, 2013 at 11:44 PM, Jörg Schönfelder
> > Hi Johan, how are you?
> > I have a question about restarting a constant force simulation with
> > and I cannot find an answer to this in the manuals or on the namd
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