Dear Amber users,
I want to use an external electric field in Amber 16. After specifying efz
values, I got this error message:
| ERROR: External electric fields cannot be used when npt > 0!
If I turn off the pressure scalling (ntp = 0), the simulation runs, but of
course, the system is kind of exploding as I do not have any pressure.
I found a link to the similar question (
http://archive.ambermd.org/201705/
0126.html) ...anyway, is there a way how to do such simulations with both
external electric field and pressure on? I think, long simulations would not
make a sense without ntp.
Thank you!
Michal
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Received on Tue May 30 2017 - 08:00:02 PDT
