From: Gianluca Interlandi (gianluca_at_u.washington.edu)
Date: Fri Aug 30 2013 - 18:33:06 CDT
>> Thanks for this link. I'm really curious about mindy. I have downloaded
>> it. Do you know whether it supports the CHARMM CMAP correction?
>
> Looking at the code, it does not, but that would be easy to adapt from the
> NAMD's ComputeCrossterms.C; the more troublesome part is the lack of
> long-range electrostatic treatments.
If one wants to use it in explicit solvent. Otherwise, one would have to
steal the code for GBSA from NAMD. And I bet it's not that trivial either.
Gianluca
-----------------------------------------------------
Gianluca Interlandi, PhD gianluca_at_u.washington.edu
+1 (206) 685 4435
http://artemide.bioeng.washington.edu/
Research Scientist at the Department of Bioengineering
at the University of Washington, Seattle WA U.S.A.
http://healthynaturalbaby.org
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