[Chimera-users] Fwd: Loading prmtop/mdcrd with partial workout
chiendarret at yahoo.com
Sat Feb 2 00:22:41 PST 2008
What I asked below has no sense. Deleting residues does not freed memory. Of
course, because those residues can be resumed.
--- Francesco Pietra <chiendarret at yahoo.com> wrote:
> Date: Fri, 1 Feb 2008 12:49:22 -0800 (PST)
> From: Francesco Pietra <chiendarret at yahoo.com>
> Subject: Loading prmtop/mdcrd with partial workout
> To: chimera <chimera-users at cgl.ucsf.edu>
> I am experiencing difficulties with Amber ptraj in removing solvent/lipid/box
> (i.e., unexpected problems of prmtop fitting after that, though I used a
> before creating solvent/lipid/box).
> Otherwise, I have memory problems with Chimera in loading such an extensive
> (many ns, in various coordinate files) with all the burden of
> My question: is that feasible with Chimera to load a coordinate file, remove
> solvent and lipid, load a second coordinate file, remove solvent and lipid,
> so on for all coordinate files?
> francesco pietra
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