Hi all,
Is there a way to...
1- Strip hydrogens or any other atoms that I want from the prmtop (not
only waters)?
2- Create topologies using any version of leap without adding hydrogens
or other atoms?
or do any of you have some kind of third party software or code
modification to achieve that?
Thanks,
Cihan
--
Cihan Aydin
University of Massachusetts Medical School
Department of Biochemistry and Molecular Pharmacology
PhD Candidate, Schiffer Lab
364 Plantation St LRB 970M
Worcester, MA 01605
cihan.aydin.umassmed.edu
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Received on Tue Feb 07 2012 - 13:00:04 PST