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Use correct c0 parameter in Me2PO4 in OPLSAA
[alexxy/gromacs.git]
/
docs
/
release-notes
/
2022
/
major
/
bugs-fixed.rst
diff --git
a/docs/release-notes/2022/major/bugs-fixed.rst
b/docs/release-notes/2022/major/bugs-fixed.rst
index 510658b250fdec3902a5aa6eec6375becababd18..c41151c576e07ec3d314e23c38717787ae249968 100644
(file)
--- a/
docs/release-notes/2022/major/bugs-fixed.rst
+++ b/
docs/release-notes/2022/major/bugs-fixed.rst
@@
-26,3
+26,11
@@
both dhdl.xvg and the energy file, which is used by e.g. gmx bar, was correct.
Also, please use the syntax :issue:`number` to reference issues on GitLab, without the
a space between the colon and number!
Also, please use the syntax :issue:`number` to reference issues on GitLab, without the
a space between the colon and number!
+Use correct c0 parameter in Me2PO4 in OPLSAA
+""""""""""""""""""""""""""""""""""""""""""""
+
+OPLSAA torsions must sum to 0, but the paramters for Me2PO4 did not do so. Changed the c0
+parameter to the correct value.
+
+:issue:`4075`
+