Hi,
I am performing steered MD simulation using gromacs.
I was wondering how one can get the time profile of the irreversible work from
the gromacs pull-code out put . From constant pulling-rate SMD, we get time
profile of force pullf.xvg and pullx.xvg. I wonder does multiplying the the
value from pullx.xvg and value from pullf.xvg will provide the work . Or, will
it be force ( obtained from pullf.xvg) multiplied by pulling rate multiplied by
time ?
Sanku
--
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
