Re: [AMBER] query

From: ankita mehta <>
Date: Fri, 3 Jan 2020 16:20:20 +0530

Yess , this is perl and putting double quotes was solution.


On Fri, Jan 3, 2020 at 1:44 AM David Case <> wrote:

> On Thu, Jan 02, 2020, ankita mehta wrote:
> >" can we pass a variable file name to sander during system command"
> >if no , what will be the alternate?
> >Screenshot is attached herewith. I want to run sander in a loop and
> >everytime previous cycle restart should be the inpcrd file of next cycle.
> >and my bellymask is also changing at each cycle of loop.
> You don't say what happens when you execute the code you have shown.
> I guessing(?) that the language here is perl. If that is correct, try
> replacing the single quote symbols in the system command with double
> quotes; the former may be preventing variable interpolation.
> (If this is some other language, the same error could be occuring.)
> Aside: It's well worth your time to learn about "here files" (Google on
> "here
> files perl" or just "here files" for shell scripts. You don't have to
> write out the mdin file line by line....
> ...good luck...dac
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Received on Fri Jan 03 2020 - 03:00:02 PST
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