|
|
b0d373c9cb
|
Enables time info for XTCReader
|
2019-10-08 15:03:40 +02:00 |
|
|
|
025cf3fe6f
|
Add function to write/append xtc files.
|
2019-10-08 15:01:02 +02:00 |
|
|
|
d178df5c7f
|
Add function to read single xtc frmames.
|
2017-08-18 13:22:58 +02:00 |
|
|
|
edc1bd759a
|
Added option to ignore timestamps when loading xtc indexfiles.
|
2017-06-30 14:34:57 +02:00 |
|
|
|
e52768e6de
|
Improvements!
|
2017-02-02 14:01:37 +01:00 |
|
|
|
80e0519942
|
Fix type conversion bug in xtcreader.
|
2016-09-27 13:50:08 +02:00 |
|
|
|
ad482006b0
|
Switched to Headers fo the Gromacs-2016 branch.
|
2016-09-27 12:28:11 +02:00 |
|
|
|
b3f4de0567
|
Make filename a public attribute of XTCReader.
|
2016-06-07 16:21:36 +02:00 |
|
|
|
9c00242e2c
|
Module errors that collects all exceptions.
|
2016-06-07 16:20:38 +02:00 |
|
|
|
208a51acfe
|
Catch some possible seg faults when opening invalid xtc files.
|
2016-06-06 16:59:16 +02:00 |
|
|
|
98757efe13
|
Implemnted xtcindex file handling for XTCReader.
|
2016-06-06 13:57:19 +02:00 |
|
|
|
56c38cb46b
|
Bundle commit of all recent changes on pygmx.
|
2016-03-30 11:52:02 +02:00 |
|
|
|
58d5d3a6c4
|
First draft of a python wrapper for gromacs library
|
2016-03-16 13:07:02 +01:00 |
|
