[gmx-users] define statement in mdp file

Shima Arasteh shima_arasteh2001 at yahoo.com
Sat Mar 23 13:59:38 CET 2013


Hi,

I need to set position restraints on phosphorus head groups of lipids in addition of protein. 

In mdp file I added two lines:
define = -DPOSRES
define= -DPOSRES_LIPID

But I get the error that multiple define assignments are not allowed. Is the "define= -DPOSRES_LIPID" is enough for both protein and headgroups?

Thanks in advance.

Sincerely,
Shima



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