Solvate Package

From: Satyavani Vemparala (vani_at_VITAE.CMM.UPENN.EDU)
Date: Wed Mar 10 2004 - 18:22:54 CST


I have a PDB file (with water already present) of ~150000 atoms. This is
lipid bilayer file, and iam trying to add more water to this bilayer.

In the past i have been successfully able to do this with the help of some
helpful suggestions by this forum, by using "-minmax" option.

But with this file, i have been having problems, and number of waters
coordinates are set to zero after i run the solvate script.

Is there a limit on number of atoms, solvate can handle?

any suggestions?


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