On Mon, Sep 16, 2019, 조준범 wrote:
>I'm trying to simulate the system using polarizable force field. But I
>cannot operate even minimization. My input script is as follow.
What program are you running? Note that polarizable potentials are not
supported in pmemd, just in sander.
>
>Minimization
>&cntrl
>imin=1, maxcyc=10000,
>ntpr=100, ntwx=100,
>ntb=1,
>ipol=1,
>indmeth=1,
>/
I don't see anything wrong, but you can debug this yourself: just start
with a very simple namelist, then slowly add new variables until you
find the one the fails.
(Some fortran compilers will tell you exactly where the error is, but
others will not.)
....dac
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Received on Mon Sep 16 2019 - 05:30:02 PDT
