From: Bennion, Brian (Bennion1_at_llnl.gov)
Date: Fri Apr 22 2011 - 12:11:27 CDT
Hello,
I just want to do a sanity check about the use of modifyAppliedForce. In several sections of the namd2 code (globalmasterTMD, colvars, etc) this function seems to modify forces before use in calculations for the next timestep. Is this a modification that replaces the previously determined force or does it attenuate/potentiate the previously determined force? For example, if curForceX=1.00 and modifyAppliedForces() sends a force with an X term of myforceX=-2.0 is the resulting force that is used in the following steps equal to -1.0 or is it -2.0?
Does that make anysense?
Brian Bennion
Biosciences and Biotechnology Division
Lawrence Livermore National Laboratory
7000 East Ave Livermore California 94550
phone:925-422-5722
fax:925-424-4334
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