VMD-L Mailing List

From: Peter Freddolino (petefred_at_umich.edu)
Date: Mon Jul 13 2020 - 11:35:03 CDT

Dear Kata,
Providing some additional error output would likely help -- for anyone to
give any assistance, we would need a more precise description of what you
did, and some additional information on the error that you encountered.
Best,
Peter

On Mon, Jul 13, 2020 at 12:06 PM Alilovic,Kata <alilovickata_at_ufl.edu> wrote:

> Hello everyone,
>
> I have been trying to create RBCG models (3GHG and 1CAG) for simulation
> using the Martini force field. I successfully created pdb files and I want
> to create the corresponding psf files. I followed steps in the tutorial (
> http://www.ks.uiuc.edu/Training/Tutorials/martini/rbcg-tutorial.pdf) and
> went over the tutorial example which works perfectly but when I try on my
> protein pdb files using Automatic PSF builder and files from the tutorial I
> get an error: failed on the end of the segment, molecule destroyed. Was
> anyone successful obtaining RBCG files needed for simulation? I would
> appreciate any advice.
>
> Best,
> Kata
>
>
>