Dear Subashini,
Thanks for using ACPYPE. I guess there's something wrong with your input
file. Try to run with -d option to have more details.
Also, are you running on Windows? Python 2 or Python 3? If you're still
facing trouble, you can send me the files if you don't mind.
ACPYPE as a convertor from Amber to GMX should work straightforward without
antechamber or babel.
Alan
On 10 January 2017 at 08:28, Subashini .K <subashinik.hotmail.com> wrote:
> Hi Amber users,
>
> While using acpype, to convert .top and .crd files to gromacs input file,
> it says ACPYPE FAILED: could not convert string to float: PRO
>
>
> $ /usr/local/acpype/acpype.py -p com_solvated.top -x com_solvated.crd -b
> complex
> ============================================================
> =====================================
> | ACPYPE: AnteChamber PYthon Parser interfacE v. 2016-11-24 10:28:52Z Rev:
> 10017 (c) 2017 AWSdS |
> ============================================================
> =====================================
> Converting Amber input files to Gromacs ...
> ACPYPE FAILED: could not convert string to float: PRO
> Total time of execution: less than a second
>
>
> How to fix it?
> Thanks,
> Subashini.K
>
>
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> http://lists.ambermd.org/mailman/listinfo/amber
>
--
Alan Wilter SOUSA da SILVA, DSc
Senior 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
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Received on Tue Jan 10 2017 - 01:00:02 PST
