[AMBER] EEL and VDW Notification on minimization with sander/pmemd

From: Charles Mariasoosai <charlesmariasoosai51.gmail.com>
Date: Fri, 12 May 2017 22:27:53 +0530

Am new to amber.
i have generated parameters for non standard(modified: covalently attached
with co-factor ) amino acid and included in my library.
i have successfully generated prmtop and inpcrd files.
While running minimisation am getting the folwing notification in out file
and my minimisation is not proceeding forward?

*| Note: 1-4 EEL scale factors are being read from the topology file.|
Note: 1-4 VDW scale factors are being read from the topology file. Found a
non-zero 10-12 coefficient, but source was not compiled with
-DHAS_10_12. If you are using a pre-1994 force field, you will need to
re-compile with this flag.*

how i should solve this ?
and am getting segmentaion fault in terminal.

*ம. ரம்ய சந்தர் சார்லஸ்(M.Ramya Chandar Charles*)
Research Scholar
c/o Dr. S. Mohane Coumar
Centre for Bioinformatics
Pondicherry university
Mob: +91-9283684619
AMBER mailing list
Received on Fri May 12 2017 - 10:00:02 PDT
Custom Search