[gmx-users] Fwd: calculation of forces during a trajectory
mgang at pob.huji.ac.il
Tue Mar 8 09:36:02 CET 2005
I wanted to list the coulombic forces on a particular atom during an MD
run as a function of time.
I searched in the manual and archive of the mailing group and did not
find how to achieve this.
I just found how to list the total force on a particular atom but not
the coulombic force alone.
Thank you for your help in Advance.
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