I've asked the same question myself and would also like to know. That said, there seems to be no issue if you set refcoord_scaling=com. According to the manual, this does not give artefacts (whatever they are) and also does not change your restraint positions (as refcoord_scaling=all does).
Sorry that I can't give a complete answer, but, to my understanding, refcoord_scaling=no is probably just there for backward compatibility and you should use refcoord_scaling=com. Hopefully somebody who knows the full answer can comment. Chris. -- original message -- After reading the manual and some earlier threads, I understand that this would cause incorrect pressure and some "artifact". I found gromacs4.5.4 does not give warning while gromacs4.5.5 does? But I wonder how large would the average pressure deviate when setting refcoord_scaling=no compared when setting refcoord_scaling=com/ all, with absolute position restraints? Does the pressure reported in .log file still correct when setting refcoord_scaling=no? Thanks, Yun -- gmx-users mailing list gmx-users@gromacs.org 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 gmx-users-requ...@gromacs.org. * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
