Re: [AMBER] error with solvate.sh at remove command tleap

From: Vaibhav Dixit <vaibhavadixit.gmail.com>
Date: Fri, 18 Jun 2021 18:42:37 +0530

Dear David,
ok, this is working now with both the solvate.sh script and parmed.
thanks for pointing out the example in the manual (section 13.6.32).
best regards

On Fri, Jun 18, 2021 at 5:33 PM David A Case <david.case.rutgers.edu> wrote:

> On Thu, Jun 17, 2021, Vaibhav Dixit wrote:
>
> >remove mol.6451
> >remove mol.6451.O
>
> The remove command requires two arguments: see Section 14.6.32 in the LEaP
> chapter.
>
> >remove: Argument #2 is type Double must be of type: [molecule residue
> atom]
> >usage: remove <unit/residue/atom> <unit/residue/atom>
>
> This again tells you that two arguments are required.
>
> >In the absence of examples for the "remove" command in the manual...
>
> I have to push back a little here: there is an example in the section cited
> above.
>
> ....dac
>
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-- 
Regards,
Dr. Vaibhav A. Dixit,
Visiting Scientist at the Manchester Institute of Biotechnology (MIB), The
University of Manchester, 131 Princess Street, Manchester M1 7DN, UK.
AND
Assistant Professor,
Department of Pharmacy,
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Received on Fri Jun 18 2021 - 06:30:03 PDT
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