Hi,
Can long minimizations cause unreasonable operation in MD simulations with
sander?
The problem is: I have made 2000O steps of min prior to my 1ns MD at 600K and it
worked good. However, I wanted to use my same minimized system prior to my 300K
MD but it just terminates at the beginning. This happens both in vacuum and
explicit solvent environment...
any ideas?
thanks in advance
Murat CETINKAYA
Biomolecular Materials Lab,
Dept. of Engr. Science and Mechanics,
The Pennsylvania State University,
University Park, PA 16802
office: (814) 863 9967
web: www.personal.psu.edu/muc176
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Received on Mon Oct 25 2004 - 16:53:00 PDT
