General

Profile

Viveca Lindahl

  • Email: vivecal@kth.se
  • Registered on: 10/09/2014
  • Last connection: 04/24/2018

Issues

Projects

Activity

Today

04:01 PM GROMACS Feature #2491 (New): Allow constant bias AWH simulations
Some users prefer to simulate in constant ensemble when applying a bias potential along a reaction coordinate. AWH ca...
02:34 PM GROMACS Bug #2489 (New): Handle mdp-option case "awh-nsamples-update = 0"
Setting "awh-nsamples-update = 0" is accepted by grompp but leads to a floating point exception because the variable ...
11:48 AM GROMACS Bug #2487 (New): AWH covering detection delayed in certain cases
For a Brownian dynamics system with a 2d reaction coordinate, the AWH detection of covering gets delayed because the ...

04/11/2018

04:12 PM GROMACS Bug #2477 (Closed): Include statement in forcefield.itp not working
04:12 PM GROMACS Bug #2477: Include statement in forcefield.itp not working
Viveca Lindahl wrote:
> Viveca Lindahl wrote:
> > Berk Hess wrote:
> > > the gbsa files have been removed in maste...
04:08 PM GROMACS Bug #2477: Include statement in forcefield.itp not working
Viveca Lindahl wrote:
> Berk Hess wrote:
> > the gbsa files have been removed in master
>
> it wasn't obvious wh...
03:19 PM GROMACS Bug #2477: Include statement in forcefield.itp not working
Berk Hess wrote:
> the gbsa files have been removed in master
it wasn't obvious when quickly scanning the commit ...
02:53 PM GROMACS Bug #2477 (Closed): Include statement in forcefield.itp not working
I have a top-file that includes an "external" force field called amber99sb-ildn-berger located in the working directo...
01:16 PM GROMACS Bug #2476 (Closed): gmx trjconv segfaults when converting gro file to xtc when no tpr is given
01:09 PM GROMACS Bug #2476 (Closed): gmx trjconv segfaults when converting gro file to xtc when no tpr is given
@gmx_debug trjconv -f confout.gro -o traj_comp.xtc@
results in a segmentation fault. In topology.cpp:180
@ s...

Also available in: Atom