Dear Amber users,
I would like to apply an external electric field across the z-axis of my
system, which is a membrane-bound protein.
I searched the manual for some information, and I got a list of parameters
which are related to electric field, such as efz, efn, frcopt, efphase, and
effreq. But I feel a bit lost here...
So, let's say I want to have a voltage of -500 eV across the z-axis (the
membrane). Which parameters should I include in my production file?
Also, according to the manual of Amber22, this function is not implemented
in pmemd.CUDA - is it true?
This is my standard production run:
Production 303K 10ns
&cntrl
imin=0,
ntx=5,
irest=1,
ntc=2,
ntf=2,
tol=0.0000001,
nstlim=5000000,
ntt=3,
gamma_ln=1.0,
temp0=303.0,
ntpr=500,
ntwr=500,
ntwx=500,
dt=0.002,
ig=-1,
ntb=2,
ntp=2,
cut=10.0,
ioutfm=1,
ntxo=2,
/
Looking forward for your help!
Thanks,
Karolina Mitusińska
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Received on Wed Aug 23 2023 - 04:00:02 PDT
