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(parent: 7c08c48) | patch
Added GROMOS96 54A7 force field files.
authorJustin Lemkul <jalemkul@vt.edu>
Wed, 22 May 2013 12:24:55 +0000 (08:24 -0400)
committerGerrit Code Review <gerrit@gerrit.gromacs.org>
Thu, 30 May 2013 08:22:33 +0000 (10:22 +0200)
commit2e7ace75bfec80927d4ac4f1263d1d3c7d0dae20
treece5cd508cdf821888a4b788d2877327861bb90d3tree | snapshot
parent7c08c485a9b878f7a63ce916e6b5cbb4597cbff6commit | diff
Added GROMOS96 54A7 force field files.

Files are taken from ATB, which is hosted by Alan Mark, who
was an author on the GROMACS96 54A7 paper, which is cited in
forcefields.doc. So these files are effectively equivalent to
the reference implementation.

Fixes #773.

Change-Id: I800da3d3535a09cd5beb7f2b4d1b42422cc4329f
21 files changed:
share/top/gromos54a7.ff/aminoacids.c.tdb [new file with mode: 0644] blob
share/top/gromos54a7.ff/aminoacids.hdb [new file with mode: 0644] blob
share/top/gromos54a7.ff/aminoacids.n.tdb [new file with mode: 0644] blob
share/top/gromos54a7.ff/aminoacids.r2b [new file with mode: 0644] blob
share/top/gromos54a7.ff/aminoacids.rtp [new file with mode: 0644] blob
share/top/gromos54a7.ff/aminoacids.vsd [new file with mode: 0644] blob
share/top/gromos54a7.ff/atomtypes.atp [new file with mode: 0644] blob
share/top/gromos54a7.ff/dppc.itp [new file with mode: 0644] blob
share/top/gromos54a7.ff/ff_dum.itp [new file with mode: 0644] blob
share/top/gromos54a7.ff/ffbonded.itp [new file with mode: 0644] blob
share/top/gromos54a7.ff/ffnonbonded.itp [new file with mode: 0644] blob
share/top/gromos54a7.ff/forcefield.doc [new file with mode: 0644] blob
share/top/gromos54a7.ff/forcefield.itp [new file with mode: 0644] blob
share/top/gromos54a7.ff/ions.itp [new file with mode: 0644] blob
share/top/gromos54a7.ff/popc.itp [new file with mode: 0644] blob
share/top/gromos54a7.ff/spc.itp [new file with mode: 0644] blob
share/top/gromos54a7.ff/spce.itp [new file with mode: 0644] blob
share/top/gromos54a7.ff/tip3p.itp [new file with mode: 0644] blob
share/top/gromos54a7.ff/tip4p.itp [new file with mode: 0644] blob
share/top/gromos54a7.ff/tmcl.itp [new file with mode: 0644] blob
share/top/gromos54a7.ff/watermodels.dat [new file with mode: 0644] blob
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