loadtotalforces: 1000+ pN per atom!

From: LEWYN LI (ll2150_at_columbia.edu)
Date: Thu Nov 04 2004 - 20:10:07 CST

Fellow NAMD users,

         Using the new "loadtotalforces" in TCL, I am reading -1500 - 1500
pN of forces on the selected atoms in my protein (which happen to be the
two sulphur atoms in a disulfide bridge). I have never used
"loadtotalforces" before and I am wondering if the forces I am getting are
reasonable. I am running a constant-velocity pulling simulation, and I am
not adding any external constant force to the protein.

         Any help would be greatly appreciated. Thank you very much.

                                                         LEWYN LI

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