The authors of the following paper implemented Generalized Born in
GROMACS. They seem willing to send their modifications to people who
email them and ask.
Comparative study of generalized Born models: protein dynamics. Proc
Natl Acad Sci U S A. 2005 May 10;102(19):6760-4. Epub 2005 Apr 6
Hi
Is there any way at all to do an implicit solvent simulation in
Gromacs? I am trying to do an in vacuo minimization, but the
structure is blowing up and getting highly distorted. I am guessing
it is because of the overwhelming electrostatic interactions in
vacuum. So I want to use a con
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