Re: [AMBER] STSM sample files

From: Feng Pan <fpan3.ncsu.edu>
Date: Mon, 12 Feb 2018 14:26:01 -0500

Hi, Szymon Zaczek

I have sent to your email.

Best
Feng

On Mon, Feb 12, 2018 at 3:48 AM, Szymon Żaczek <szymonzaczek.gmail.com>
wrote:

> Dear Amber users,
>
> could someone send me files that work correctly with
> Swarms-of-Trajectories String Method (STSM)?
>
> I have some issues with running calculations using this method - in my
> output file it is printed that NFE module is loaded correctly, however
> nothing appears after this information and calculations halts before
> sampling even first step. I think that there may be something wrong
> with my installation of Amber, however I am not 100% sure if I set up
> my files properly, therefore working ones would help me troubleshoot
> the problem.
>
> Kind regards,
> Szymon Zaczek
>
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
>



-- 
Feng Pan
Ph.D.
North Carolina State University
Department of Physics
Email:  fpan3.ncsu.edu
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Mon Feb 12 2018 - 11:30:02 PST
Custom Search