Hello,
I was optimizing the structure of a protein in gaussian using amber force
field (ff12sb) and I encountered with an error
Read MM parameter file:
WANTED A FLOATING POINT NUMBER AS INPUT.
FOUND A STRING AS INPUT.
HrmStr1 C -2C 317.0 1.5220
?
Error termination via Lnk1e in /nfs-scratch/Apps/gaussian09/g09/l101.exe
On Thu, Dec 21, 2017 at 6:50 PM, Rinsha Chk <rinshachk.gmail.com> wrote:
> Okay... thanks.
>
>
> On Thu, Dec 21, 2017 at 6:43 PM, David A Case <david.case.rutgers.edu>
> wrote:
>
>> On Thu, Dec 21, 2017, Rinsha Chk wrote:
>>
>> > I was optimizing the structure of a protein in gaussian using amber
>> force
>> > field (ff12sb) and I encountered with an error,
>> > Read MM parameter file:
>> > ff12SB IFunc= -1
>> > Function name not recognized in RdPar
>> > Error termination via Lnk1e in /nfs-scratch/Apps/gaussian09/g
>> 09/l101.exe
>>
>> This is a Gaussian error, not and Amber one. Someone on this list might
>> be able to help, but it is likely you will need to get help from other
>> sources, such as Gaussian itself.
>>
>> ....dac
>>
>>
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>>
>
>
>
> --
> Rinsha. C H
> Research Scholar
> Theoretical and Computational Chemistry Lab
> Department of Chemistry
> NIT Calicut
>
--
Rinsha. C H
Research Scholar
Theoretical and Computational Chemistry Lab
Department of Chemistry
NIT Calicut
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Received on Thu Dec 21 2017 - 05:30:03 PST
