AMBER Archive (2006)
Subject: AMBER: PBSA calculation fail ....
From: Changge Ji (jcg_at_itcc.nju.edu.cn)
I did some MM_PBSA analysis with my dynamic traj.
But it paused with the following error message : " PB Warning in epsbnd(): No neighbor found for boundary grids total: 61
parameters used in mm_pbsa.in are
I found out that this error message comes from pb_exmol.f ,but I don't know what it really means ?
And how can I fixed it .
By the way ,my system is very large , the protein contains about 16000 atoms .
Thank you very much for your sincerely help.