VMD-L Mailing List

From: JC Gumbart (gumbart_at_physics.gatech.edu)
Date: Mon Apr 23 2018 - 17:36:36 CDT

That looks like a fortran error, suggesting that it can’t find one of the files. If I read it correctly though, there is no file name associated (or at least it only provides the location in the error).

Can you send me OFF-LIST the files I need to reproduce the error along with the sequence of commands you used? Maybe even a screenshot of FFTK.

Best,
JC

> On Apr 23, 2018, at 4:46 PM, SM Bargeen A Turzo <s.turzo_at_vikes.csuohio.edu> wrote:
>
> Hi vmd users,
> I am trying to fit the esp charges on a molecule using Fftk toolkit(on my macOS) and I have set the RESP Path to resp2.4 executable. However I am getting the following error:
>
> Unit 6 Error on OPEN: