[gmx-users] grommp warning

Shima Arasteh shima_arasteh2001 at yahoo.com
Mon Aug 13 18:36:31 CEST 2012


Dear gmx users,

I'm simulating a system of protein and water. In NPT equilibration step, I get the error of too many warnings.
Anybody knows about this warning?

The warning is : 

WARNING 1 [file NPT.mdp]:
  You are using pressure coupling with absolute position restraints, this
  will give artifacts. Use the refcoord_scaling option.


Thanks for your suggestions in advance.


Sincerely,
Shima



More information about the gromacs.org_gmx-users mailing list