Ah, I have completely missed that. Now it is working. Thank you very much for your help!
Best,
Cecilia
-----Original Message-----
From: Bill Ross [mailto:ross.cgl.ucsf.edu]
Sent: den 18 augusti 2016 11:24
To: AMBER Mailing List <amber.ambermd.org>
Subject: Re: [AMBER] MD simulation with non natural amino acid, parameterized using the RED server
Good catch. That's the sort of format misapprehension I had in mind.
Bill
On 8/18/16 2:19 AM, Hannes Loeffler wrote:
> Hi,
>
> I don't recall the frcmod format at the moment but wouldn't the the -2
> in following lines
>
> CT-NT-P -O2 1 3.00000000e+00 180.0 -2.
> CT-NT-P -OS 6 1.80000000e+01 180.0 2.
>
> mean that another torsion for CT-NT-P -O2 would need to be read so
> that CT-NT-P -OS is effectively ignored and the second line is
> interpreted as being another term for the first on? The desc output
> seems to suggest that at least.
>
> Cheers,
> Hannes.
>
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Received on Thu Aug 18 2016 - 04:00:03 PDT
