Revisions of gromacs
- 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)
Accepted submit request 53680 from user anubisg1
Accepted submit request 51980 from user coolo
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