[gmx-users] Remove bad waters

Mehrnoosh Hazrati mehrnoosh.hazrati at modares.ac.ir
Wed Apr 20 13:39:29 CEST 2016

hi all,

I'm simulating membrane, and when I check my .gro file I found 4-5 water
molecules got introduced into interstices in the membrane. I've changed
vdwradii.dat file, but still these 4-5 molecules remain!
Is there any way to delete them by VMD ?!  and if yes, how can I save the
new file as .gro format?

Thank you in advance

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