sakthi kumaran wrote:
Dear all,
Hi I am new to gromacs. I want to calculate the Van der waals
interaction between two capped CNT facing each other using the pairwise
LJ potential.I haven't used gromacs already. Any know-how/procedures to
do the requiste would be very helpful.Whether Any tutorials are
available for such a kind of thing...
Running a simulation while setting proper energygrps to decompose short-range
nonbonded interactions sounds to be what you need to do.
-Justin
Thank you in advance guys
--
========================================
Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
MILES-IGERT Trainee
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin
========================================
--
gmx-users mailing list [email protected]
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 [email protected].
Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
