Hello,
If you were able to complete upto 50 ns, then what happened to the rst file??
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: Lovika Mittal [mailto:lovika.mittal.thsti.res.in]
Sent: Tuesday, March 07, 2017 9:56 AM
To: amber.ambermd.org
Subject: [AMBER] Query regarding extension of Molecular dynamics simulation from 50ns to 100ns
Dear Sir/Madam,
I would like to know how to extend the MD simulation of a protein-ligand complex from 50ns to 100 ns if we do not have md.rst file.
I look forward to hearing from you soon.
Thanking You.
--
*Lovika Mittal*
*Junior Research Fellow*
*D*rug *D*iscovery *R*esearch *C*entre *(DDRC)* *T*ranslational *H*ealth *S*cience and *T*echnology *I*nstitute (*THSTI*), NCR Biotech Science Cluster, 3rd Milestone, Faridabad-Gurgaon Expressway, Faridabad-121001, Haryana, India.
Mail- lovika93.gmail.com, lovika.mittal.thsti.res.in _______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Mon Mar 06 2017 - 21:00:02 PST
