HI,
Can you tell which amber and ambertools version you are using and how did you compile amber??
Best Regards
Elvis Martis
Ph.D. Student (Computational Chemistry)
at Bombay College of Pharmacy
A Kalina, Santacruz [E], Mumbai 400098, INDIA
W www.elvismartis.in
Skype. adrian_elvis12
-----Original Message-----
From: Charles Mariasoosai [mailto:charlesmariasoosai51.gmail.com]
Sent: Friday, May 12, 2017 10:28 PM
To: amber.ambermd.org
Subject: [AMBER] EEL and VDW Notification on minimization with sander/pmemd
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.
--
*-Regards-*
*ம. ரம்ய சந்தர் சார்லஸ்(M.Ramya Chandar Charles*) Research Scholar c/o Dr. S. Mohane Coumar Centre for Bioinformatics Pondicherry university
Mob: +91-9283684619
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Received on Sat May 13 2017 - 01:30:02 PDT
