[gmx-users] Converting Amber parameters to gromacs parameters

[Alan]

In principle, if you have _prmtop_, _inpcrd_ files, then

acpype -p _prmtop_ -x _inpcrd_ [-d]

should be able to handle any situation, even Amber14.

Alan



On 16 December 2014 at 14:12, Magnus Lundborg <magnus.lundborg at scilifelab.se
> wrote:
>
> Hi,
>
> Have a look at acpype. That should be able to convert from Amber (not
> Amber14 yet, I think) to Gromacs.
>
> Regards,
>
> Magnus
>
>
> On 12/16/2014 03:03 PM, Carlos Navarro Retamal wrote:
>
>> Dear gromacs users,
>> I found recently some parameters for a thylakoid membrane, but sadly they
>> were for the Amber software. Is there a way to transform them into gromacs
>> parameters?
>> Thanks in advance,
>> Carlos
>> --
>> Carlos Navarro Retamal
>> Bioinformatic engineer
>> Ph.D(c) in Applied Science, Universidad de Talca, Chile
>> Center of Bioinformatics and Molecular Simulations (CBSM)
>> Universidad de Talca
>> 2 Norte 685, Casilla 721, Talca - Chile
>> Teléfono: 56-71-201 798,
>> Fax: 56-71-201 561
>> Email: carlos.navarro87 at gmail.com or cnavarro at utalca.cl
>>
>>
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-- 
Alan Wilter SOUSA da SILVA, DSc
Bioinformatician, UniProt
European Bioinformatics Institute (EMBL-EBI)
European Molecular Biology Laboratory
Wellcome Trust Genome Campus
Hinxton
Cambridge CB10 1SD
United Kingdom
Tel: +44 (0)1223 494588