Re: editing the code of the non bonded pair potentials

From: Gianluca Interlandi (
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 Interlandi, PhD
                     +1 (206) 685 4435

Research Scientist at the Department of Bioengineering
at the University of Washington, Seattle WA U.S.A.

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