Thank you for the reply. Just to clarify.
In the original gromos 53a6 paper, all bonds were constrained, while in
amber99sb paper only bonds involving H atoms were constrained. So as long as
I stick to the same groups of bonds constrained as in the development of
respective forcefields, it is
Yun Shi wrote:
Thank you for the reply. Just to clarify.
In the original gromos 53a6 paper, all bonds were constrained, while in
amber99sb paper only bonds involving H atoms were constrained. So as
long as I stick to the same groups of bonds constrained as in the
development of respective
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