Hello, Thomas
In your reply, you mentioned that energies should be reasonable. I wonder that what is reasonable.
When I run a simulation of a 200 residues protein in explicit water, the vdw energy is positive and is about 9000. Whereas the trajectory seems correct. Is the vdw too big or reasonable? Is there any hidden error?
Thanks a lot
best regards
Linchen Gong
______________________________________
Linchen Gong
basic science class
math and physics oriented
Department of physics
Tsinghua University
===================================================================
-----------------------------------------------------------------------
The AMBER Mail Reflector
To post, send mail to amber.scripps.edu
To unsubscribe, send "unsubscribe amber" to majordomo.scripps.edu
Received on Thu Jul 28 2005 - 08:53:00 PDT
