comp-chem/NWChem
1
0
Fork 0
mirror of https://github.com/nwchemgit/nwchem.git synced 2026-07-28 14:15:30 -04:00
Code Issues Projects Releases Packages Wiki Activity Actions 1
NWChem/QA/tests/trypsin
History
Exact
Huub Van Dam 7d290b98cb HvD: The first tranche of updates in relation to the NWChem-6.0 release. 
All input files now have the "echo" directive. Also where necessary the
baselines have been updated upto and including br2_dk.out. There is
more to follow...
2010-10-26 21:27:33 +00:00
..
trypsin.top HvD: Carried MD fixes from the nwchem-6.0 branch over to the development 2010-08-30 18:24:36 +00:00
trypsin_md.nw HvD: The first tranche of updates in relation to the NWChem-6.0 release. 2010-10-26 21:27:33 +00:00
trypsin_md.out HvD: Carried MD fixes from the nwchem-6.0 branch over to the development 2010-08-30 18:24:36 +00:00
trypsin_md.rst HvD: Carried MD fixes from the nwchem-6.0 branch over to the development 2010-08-30 18:24:36 +00:00
trypsin_md.tst HvD: Carried MD fixes from the nwchem-6.0 branch over to the development 2010-08-30 18:24:36 +00:00