Re: [AMBER] No parameters for PGR in lipid14

From: Jason Swails <jason.swails.gmail.com>
Date: Wed, 2 Jul 2014 07:00:59 -0700

> On Jul 2, 2014, at 5:12 AM, Niels Geudens <Niels.Geudens.UGent.be> wrote:
>
> Thank you for your clear response! May I ask when PG will effectively
> be implemented?
>
> Would it be unrealistic to make make an frcmod.lipid14 file with the
> oH and hO parameters of lipid11 (for now)?
>
> A final technical question: Since I started working with AmberTools14
> together with Amber12, I cannot load any frcmod files in leap anymore.
> I get an error message as follows:
>
>> loadoff frcmod.ff99SB
> File: /home/niels/bin/amber14/dat/leap/parm/frcmod.ff99SB is not a
> valid database.

You tried to load a force modification file as a library file. Try the loadAmberParams command instead.

>
> I don't have any line ending problems in the frcmod file and this
> perticular frcmod file worked in the past.

Presumably because you used the correct command ;).

Good luck,
Jason

--
Jason M. Swails
BioMaPS,
Rutgers University
Postdoctoral Researcher
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Received on Wed Jul 02 2014 - 07:30:02 PDT
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