Niels Müller 92addd3148 Implement Gromacs internal Whole Procedure

2019-10-25 09:55:20 +02:00

..

gromacs

Change coordinates property to positions, according to mdanalysis.

2017-11-14 13:43:59 +01:00

__init__.py

Implement Gromacs internal Whole Procedure

2019-10-25 09:55:20 +02:00

enxio.pyx

Improvements!

2017-02-02 14:01:37 +01:00

errors.py

Module errors that collects all exceptions.

2016-06-07 16:20:38 +02:00

fileio.pxd

Add function to read single xtc frmames.

2017-08-18 13:22:58 +02:00

math.pxd

First draft of a python wrapper for gromacs library

2016-03-16 13:07:02 +01:00

mdtypes.pxd

Clean up Code

2019-10-08 15:08:52 +02:00

reader.py

First draft of a python wrapper for gromacs library

2016-03-16 13:07:02 +01:00

tngio.pyx

First draft of a python wrapper for gromacs library

2016-03-16 13:07:02 +01:00

topology.pxd

Implement Gromacs internal Whole Procedure

2019-10-25 09:55:20 +02:00

tpxio.pyx

Implement Gromacs internal Whole Procedure

2019-10-25 09:55:20 +02:00

utility.pxd

Enabled & functioning edrfile reader.

2016-09-27 15:46:05 +02:00

xtcindex.py

Improvements!

2017-02-02 14:01:37 +01:00

xtcio.pyx

Make sure too close XTC Files.

2019-10-18 14:43:13 +02:00