[gmx-users] How to make sure to reach the equalibrium state (2)
spoel at xray.bmc.uu.se
Sun Jul 31 12:46:35 CEST 2005
On Fri, 2005-07-29 at 14:58 -0700, Tanping Li wrote:
> Another problem is: after MD of protein in waters, it
> is very difficult for some coil parts to match the
> original PDB structure, sometimes, the difference is
> very dramatic. Is this reasonable?
Maybe, maybe not. See previous answer too.
> Appretiate your reply.
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David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics group,
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596, 75124 Uppsala, Sweden
phone: 46 18 471 4205 fax: 46 18 511 755
spoel at xray.bmc.uu.se spoel at gromacs.org http://xray.bmc.uu.se/~spoel
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