VMD-L Mailing List

From: Satyavani Vemparala (vani_at_VITAE.CMM.UPENN.EDU)
Date: Sat Feb 14 2004 - 21:00:02 CST

Hello:

is there a way/ a script to remove certain fragments like water molecules
from both the PDB and PSF files? or even remove waters based on distance
from lipids/proteins?

after solvation of lipid bilayers , i need to remove certain water
molecules, and doing it in PDB files is simple, but then there is no
consistency between PDB & PSF files.

Thanks
Vani 

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