AMBER Archive (2003)Subject: leap remove command
From: CUI, Guanglei (cuigl_at_morita.chem.sunysb.edu)
Date: Fri Mar 14 2003 - 16:19:12 CST
Dear amber users,
I'm trying to create a solvated system in leap to match a previously
created restart file. However, leap added two extra water molecules.
Is there a way to safely delete them? I tried 'remove' command, but
the following MD (a free energy perturbation) generated lots of
vlimit warning. Any suggestions? Thanks in advance.
regards,
--
Guanglei Cui
Dept. of Chemistry
SUNY at Stony Brook
Stony Brook, NY 11790
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