AMBER Archive (2006)

Subject: Re: AMBER: rdparm

From: Tim Meyer (tim_at_mmb.pcb.ub.es)
Date: Tue Dec 19 2006 - 09:22:45 CST


there is a program called topcut from petr kulhanek (kulhanek_at_chemi.muni.cz)
which can do this.

tim

venditti2_at_unisi.it wrote:
> Dear list,
> I have to strip out all the water hydrogens from my simulation. I did it
> for the trajectory file but I don't understand the way to delete these
> atoms in the topology file.
> I tryied using the rdparm command, but I have just found a way to strip
> the water molecules (using the stripwater option).
> Have you any suggestion?
> Many thanks in advance,
> Vincenzo
>
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