[gmx-users] I want only coordinates in md.xtc/md.pdb

Saba Ferdous saba.bsbi154 at iiu.edu.pk
Thu Dec 8 06:26:51 CET 2011


Dear Sir,
I need to ask you that if I want only pdb coordinates in the resultant
md-noPBC.xtc/md-noPBC.pdb file rather than the solvant atoms and
coordinates then what should I do. because the water box causes very delay
in loading of frames and its difficult to viualize the trajectory. kindly
help me to get out of the broblem. I only want that my protein get display
in vmd rather than the water box.
the size of md-noPBC.xtc is 612 Mb
md-noPBC.pdb  is 13.2 GB

analysis is getting very slow and system is hanging. kindly help me out to
fix this problem.

Regards
Thanks


-- 
Saba Ferdous
Research Scholar (M. Phil)
National Center for Bioinformatics
Quaid-e-Azam University, Islamabad
Pakistan
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