Dear João,
could you check whether
https://gerrit.gromacs.org/#/c/3267/
fixes your problems with g_tune_pme?
Thanks,
Carsten
On 13 Mar 2014, at 18:27, João Rodrigues anar...@gmail.com wrote:
Hi Carsten,
Thanks for the reply and for the info on the rlist modification.
I created the
Hi Carsten,
Thanks for the fix!
Will run it today and get back to you with the results.
Cheers,
João
2014-03-14 12:32 GMT+01:00 Carsten Kutzner ckut...@gwdg.de:
Dear João,
could you check whether
https://gerrit.gromacs.org/#/c/3267/
fixes your problems with g_tune_pme?
Thanks,
Checked. Fixed.
Thanks again!
João
2014-03-14 14:03 GMT+01:00 João Rodrigues anar...@gmail.com:
Hi Carsten,
Thanks for the fix!
Will run it today and get back to you with the results.
Cheers,
João
2014-03-14 12:32 GMT+01:00 Carsten Kutzner ckut...@gwdg.de:
Dear João,
could you
Hi all,
I've been playing with g_tune_pme (neat tool!) for the last couple of days.
If I understood correctly, it can also be used to iterate over different
rcoulomb values using the -rmin and -rmax options. Using the Verlet scheme
requires rvdw = rcoulomb, so I used the -scalevdw option (which
Dear João,
On 13 Mar 2014, at 14:38, João Rodrigues anar...@gmail.com wrote:
Hi all,
I've been playing with g_tune_pme (neat tool!) for the last couple of days.
If I understood correctly, it can also be used to iterate over different
rcoulomb values using the -rmin and -rmax options. Using
Hi Carsten,
Thanks for the reply and for the info on the rlist modification.
I created the bug report - http://redmine.gromacs.org/issues/1460 - and
assigned it to you. I also set the priority to low, don't know if it
matters.
Cheers,
João
2014-03-13 18:04 GMT+01:00 Carsten Kutzner
Hi João,
thanks a lot, I will deal with it tomorrow!
Best,
Carsten
On 13 Mar 2014, at 18:27, João Rodrigues anar...@gmail.com wrote:
Hi Carsten,
Thanks for the reply and for the info on the rlist modification.
I created the bug report - http://redmine.gromacs.org/issues/1460 - and
