[gmx-users] H2O close to N-terms
Mark.Abraham at anu.edu.au
Tue Jun 20 03:31:26 CEST 2006
rodrid3 at rpi.edu wrote:
> Someone has written a script to calculate how may times H2O molecules
> get really close or bind to the N-terminals of a protein?(it's outer
> part, not the core) Or maybe someone nows how to calculate the N-terms
> interactions with the solvent? Anything related to this would help.
See g_mindist in the manual.
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