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.
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Received on Wed May 20 2009 - 12:31:33 PDT
