[gmx-users] strange movement
Gao.Fan at mayo.edu
Wed Jan 14 18:33:01 CET 2004
I'm running a pentameric protein simluation by using Gromacs. I output the
pdb files from the trajectory file and used VMD to visualize it. After 3ns
simulation, 2 subunits of the protein suddenly move away from the other 3
subunits (more than 10 angstom). Is there anyway to solve this problem?
Should I use a larger water box?
Receptor Biology Lab
Medical Science Building 1-145
Dept. of Physiology & Biomedical Engineering
Mayo Clinic, College of Medicine
Rochester, MN 55905
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