[gmx-users] Result difference between Gromacs and other pakages, is it a bugs??

PeiQuan Chen gromacs at 163.com
Wed Jun 11 16:50:01 CEST 2003

Dear gmx-users:

>This looks like you used constraints in Tinker and not in Gromacs.
>Turn on the constraints in your mdp file.

   No. I haven't used constraints in Tinker. I do a fully EM on the a CH4 molecule.
I think that it maybe because the coordinate files is use 3 digits decimal fraction,
While tinker use 6.

Sincerely yours
PeiQuan Chen
PeiQuan Chen 	Department of Chemistry, Nankai University
WeiJin Road 94, TianJin, 300071, P.R.China
phone:	(86)2223506728		Mobile Phone: (+86)13920675030
gromacs at 163.com	

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