external forces

From: Matteo Rotter (matteo.rotter_at_uniud.it)
Date: Mon Apr 04 2011 - 08:13:24 CDT

Dear all,

I am attempting to add external calculated forces to a md simulation
performed by namd. I am using the last version of namd (2.8b1).
The question is:
The constant forces command is the correct way to add external
calculated forces? When i add this external forces i can't see any
difference in the output provided by command "output onlyforces
./myfile". A long simulation shows a difference in rmsd between a
normal run and a run adding constantForce but I still have the doubt
if the forces are added or replaced.
Probably better results could be obtained using "extForces" command?

Thanks and regards,

SEMEL (SErvizio di Messaging ELettronico) - CSIT -Universita' di Udine

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