Dear All, I have a system with two solutes (A and B) with water and ions. For pressure coupling in index file I defined two groups: Solute and Solvent, where solute consists of A+B and solvent consists of water+ions
Due to some reasons I need to apply position restraints on Solute A only for few ns NPT run then make it free also. So while doing NPT run and using above said two groups in pressure coupling; that is Solute (A+B) and Solvent (water+ions) I get this Warning: You are using pressure coupling with absolute position restraints, this will give artifacts. Use the refcoord_scaling option. Should I ignore this warning or do any of following: 1) Defining two groups: One with Solute A only and Second group with SoluteB+Water+ions 2) I am not sure which option I should use for refcoord_scaling option please suggest regards, JIom -- gmx-users mailing list [email protected] http://lists.gromacs.org/mailman/listinfo/gmx-users * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/Search before posting! * Please don't post (un)subscribe requests to the list. Use the www interface or send it to [email protected]. * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
