Search results

martinate.sh can't handle martini3 itp files

Status: Open.

#30 In marrink-lab/gromit;

· OLaprevote opened on May 30, 2021

martinate.sh doesn't include insane.py

Status: Open.

#29 In marrink-lab/gromit;

· OLaprevote opened on May 30, 2021

martinate.sh requires python 2 while martinize2 requires python 3

Status: Open.

#28 In marrink-lab/gromit;

· OLaprevote opened on May 30, 2021

GoMartini topology produced using Martinize2 doesn't run on GROMACS

Status: Open.

#27 In marrink-lab/gromit;

· OLaprevote opened on May 17, 2021

Energy groups makes gmx 2018 fall back to CPU

Status: Open.

#22 In marrink-lab/gromit;

· jbarnoud opened on May 16, 2018

Martinate -cg could accept an ITP

Status: Open.

#12 In marrink-lab/gromit;

· jbarnoud opened on Feb 16, 2017

Gromit does not document the required files for each step

Status: Open.

#10 In marrink-lab/gromit;

· jbarnoud opened on Jul 12, 2016

check for rotational constraints not working in GMX 5.1

Status: Open.

#5 In marrink-lab/gromit;

· Tsjerk opened on May 13, 2016