Re: [AMBER] AMBER: error in reading namelist cntrl

From: David A Case <>
Date: Mon, 16 Sep 2019 08:29:13 -0400

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.

>imin=1, maxcyc=10000,
>ntpr=100, ntwx=100,

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.)


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Received on Mon Sep 16 2019 - 05:30:02 PDT
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