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

[PeiQuan Chen]

Dear gmx-users：

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

>Berk.
   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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