On 15/06/12 13:02, Justin A. Lemkul wrote:
In the existing code for version 4.5.5, it seems the "Andersen" keyword
is accepted but there is no mention of its use in update.c or
coupling.c, suggesting to me that it's a ghost parameter that does
nothing. There should be some indication in the .log file that there
might be a problem and/or problems with the temperature should be apparent.
Apparently, logs said nothing. Do you want to give it a read if you can
find something odd?
--
Massimo Sandal, Ph.D.
http://devicerandom.org
--
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
