Dear AMBER Community,
I'm simulating electric double layer in gold and palladium interfaces. I
have to run a simulation using a NPT ensemble with anisotropic PBC. I've
being searching in Amber manual and I found some flags that I must use, but
for some of them I'm not sure what value to set.
I know that I have to use ntp=2 and csurften=3 - since I'm willing to
constrain XY plane -, but I don't know what value should I use for
gamma_ten, or even if I have to use it. Could you help me with this
question?
Sincerely yours,
Lucas Bandeira
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Received on Tue Jul 30 2019 - 13:00:02 PDT
