Hi,
I am planning to do a simulation with a pair of rigid linear rods in SPC/E
water . More specifically, I want to calculate the free energy of association
of
a pair of rigid rod in water, using umbrella sampling. But, I was wondering
how
to keep a chain molecule, around 10-mer, rigid . I am not sure whether just
constraining the bond lengths using LINCS will be good idea for stable
simulation . But, not sure whether, the molecule will still be linear or not ?
Any suggestion will be appreciated.
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
