Re: [AMBER] Free energy calculation

From: David Case <>
Date: Mon, 30 Sep 2019 12:12:11 +0000

On Mon, Sep 30, 2019, Sadaf Rani wrote:

>*At line 637 of file mdin_ctrl_dat.F90 (unit = 5, file = '
>Cannot match namelist object name ”*
>My input files are as under:-
> timask2=”, scmask2=”,
          ^^^^ ^^^^

Above looks suspicious: these should be two single quotes, not a double
quote. Maybe your email agent is messing things up, however.

If that doesn't fix things, use divide and conquer to debug the problem:
Start with a very simple file, then slowly add content until you
find what is causing the error.

...good luck....dac

AMBER mailing list
Received on Mon Sep 30 2019 - 05:30:03 PDT
Custom Search