From: philippe Bourly (philippe.bourly20_at_gmail.com)
Date: Fri Jul 21 2017 - 12:54:03 CDT
Thank you very much for your help.
Sincerely,
Philippe
On Wed, Jul 19, 2017 at 4:01 PM, <yjcoshc_at_gmail.com> wrote:
> Hi,
>
> 1. I often set fullsamples to 1000 for 1D reaction coordinate and 500 for
> 2D. For more information you can read the review:
> http://pubs.acs.org/doi/abs/10.1021/jp506633n
>
> 2. You can get the colvars source code from https://github.com/colvars/
> colvars and compile the abf_integrate in the colvartools directory, and
> then run abf_integrate with your grad and count file to get the final PMF--001a114f16eefd7bb50554d78cfe--
This archive was generated by hypermail 2.1.6 : Mon Dec 31 2018 - 23:20:27 CST