Revisions of gromacs
Adrian Schröter (adrianSuSE)
committed
(revision 19)
branched from openSUSE:Factory
Stephan Kulow (coolo)
committed
(revision 18)
replace license with spdx.org variant
Adrian Schröter (adrianSuSE)
committed
(revision 17)
Sascha Peilicke (saschpe)
accepted
request 84316
from
Lars Vogdt (lrupp)
(revision 16)
- Clean up spec file - Update to 4.5.5 - Improved pdb2gmx -chainsep option and reintroduced the -merge option. - Fixed mdrun file appending truncating files to 0 bytes when continuation runs stopped before writing new output. - Fixed COM pulling with multiple constraints checking the convergence of one constraint instead of all. - Fixed some dihedrals in sugars in Gromos53a5/6 working on the wrong atoms. - AmberGS force field is now based on Amber94 instead of Amber96. - Moved hydrogens in Charmm27 protein termini to separate charge groups and added ACE and CT3 residue types. - Many small fixes which avoid termination with fatal errors or crashes in mdrun and tools. - Many small updates to the manual pages of programs. (forwarded request 84299 from kwk)
autobuild
committed
(revision 14)
11.4 source split
Marcus Rueckert (darix)
committed
(revision 13)
Autobuild autoformatter for 53680
Marcus Rueckert (darix)
accepted
request 53680
from
andrea florio (anubisg1)
(revision 12)
Accepted submit request 53680 from user anubisg1
autobuild
committed
(revision 11)
Autobuild autoformatter for 51980
Ruediger Oertel (oertel)
accepted
request 51980
from
Stephan Kulow (coolo)
(revision 10)
Accepted submit request 51980 from user coolo
autobuild
committed
(revision 9)
release number sync
autobuild
committed
(revision 8)
release number sync
autobuild
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(revision 7)
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Displaying revisions 41 - 59 of 59