Hello all, I would like to add direction specific temperature coupling to the nose-hoover thermostat. I am working with version 4.5.5. Basically the idea would be not to include KE of one or more direction(s) to calculate the temperature. I have looked at the file $GMX_HOME/src/mdlib/coupling.c. Can anyone please help me with what sections of code would need to be modified.
Thanks, Ravi Bhadauria -- gmx-users mailing list gmx-users@gromacs.org http://lists.gromacs.org/mailman/listinfo/gmx-users * Only plain text messages are allowed! * 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
