[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
>
>
>
> --
> Gromacs Users mailing list
>
> * Please search the archive at
> http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before
> posting!
>
> * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
>
> * For (un)subscribe requests visit
> https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or
> send a mail to gmx-users-request at gromacs.org.
--
Wanna help a great cause? Please:
*https://www.raymondnicolettrust.com/events/2019/11/1/pbp2019
<https://www.raymondnicolettrust.com/events/2019/11/1/pbp2019>*
And many thanks!
Alan 🚲🏊♂🏃♂🇧🇷🇫🇷🇬🇧
More information about the gromacs.org_gmx-users
mailing list