[gmx-users] h-bonds constraints

Dr. Vitaly V. Chaban vvchaban at gmail.com
Fri Aug 19 20:02:09 CEST 2011


What criterion does the grompp utility use to identify H-atoms when it
is requested in the MDP file to apply constraints=h-bonds? Thanks.

-- 
Dr. Vitaly V. Chaban, 430 Hutchison Hall, Chem. Dept.
Univ. Rochester, Rochester, New York 14627-0216
THE UNITED STATES OF AMERICA



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