[gmx-users] acpype error

Alan alanwilter at gmail.com
Wed Jul 10 13:28:18 CEST 2019


Do you have the charges set inside your mol2 file?

Which acpype version are you using? Be sure to be using the latest, which
you can get by:

git clone https://github.com/alanwilter/acpype.git

If still having problems, please run:

acpype -di ligand.mol2 -c user # -d is for debug mode

and send it to me, with your input file if you don't mind.

Thanks for using ACPYPE.

Best regards

Alan

On Wed, 10 Jul 2019 at 07:57, Mahboobeh Eslami <mahboobeh.eslami at yahoo.com>
wrote:

> I installed acpype to generate the necessary files of  ligand.if I use
> this command:
> "Acpype -i ligand.mol2 -c user"
>
> I will get following message:"ACPYPE FAILED: [Errno 2] No such file or
> directory: 'tmp'"
> Please guide meThanks a lot
>
>
>
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Alan 🚲🏊‍♂🏃‍♂🇧🇷🇫🇷🇬🇧


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