You can also try to increase the value of gamma_ln, at least for the initial steps use gamma_ln > 1, once the system is well equilibrated, you can switch to smaller gamma_ln values to increase conformational sampling..
Best,
Saeed
Sent from my iPhone
> On Sep 9, 2019, at 3:13 PM, Parviz Seifpanahi Shabane <sparviz.vt.edu> wrote:
>
> gamma_ln = 0.01,
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Received on Tue Sep 10 2019 - 12:30:02 PDT
