Hi Debashis,
Makes sure that the anion and receptor are together in the reference
structure you use for trjconv -pbc nojump
Cheers,
Tsjerk
On Tue, Nov 5, 2013 at 8:12 AM, Debashis Sahu debashis.sah...@gmail.comwrote:
Dear All,
I have an problem related to jumping trajectory.
Your best bet is probably to center everything on the receptor. That will
prevent jumping of the receptor only, which is hopefully all you need.
-Trayder
On Tue, Nov 5, 2013 at 7:14 PM, Tsjerk Wassenaar tsje...@gmail.com wrote:
Hi Debashis,
Makes sure that the anion and receptor are
2 matches
Mail list logo
