[gmx-users] homodimer simulation

Kavyashree M hmkvsri at gmail.com
Tue Jan 10 12:47:22 CET 2012

Dear user,

I simulated a homodimer of 238aa each with oplsaa forcefield
using gromacs-4.5.3. But while calculating the rmsf plot I got a
plot in which starting and ending residue were connected by a
straight line along with the actual rmsf plot. Also the two rmsf
plots that it gave were slightly different from each other in few
regions. I was expecting similar rmsf for both the monomers.
I checked the pdb file generated after md run, it did not have chain
ID but two chains were present.

Kindly let me know what is wrong with rmsf? Or what is wrong with

Thanking you
With Regards
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-users/attachments/20120110/d2d7a061/attachment.html>

More information about the gromacs.org_gmx-users mailing list