I am using the FF99bsc0 force field because I have a conjugate of oligopeptide and oligonucleotide.
Yes it goes up in continuation run and the energies are Etot = -1956.9228 at time =0.00, Temp= 0.00K and Etot = 15446.2876 at time 27.2 ps, temp = 7376.56K.
I am using 2fs time step.
Thank you for help.
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Wed May 20 2009 - 12:31:33 PDT
