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author | Ying-Chieh Liao <ijliao@FreeBSD.org> | 2001-01-24 17:58:44 +0000 |
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committer | Ying-Chieh Liao <ijliao@FreeBSD.org> | 2001-01-24 17:58:44 +0000 |
commit | 5c6705c3ff1f892e9a4399318f3f19b076f1ced6 (patch) | |
tree | 1993e5411490bb6fd7c306303f9cb84c876e5891 /biology/tinker/pkg-descr | |
parent | 9ddea6faab4451b1ff6f7873bd97b93a6166d336 (diff) |
Notes
Diffstat (limited to 'biology/tinker/pkg-descr')
-rw-r--r-- | biology/tinker/pkg-descr | 15 |
1 files changed, 10 insertions, 5 deletions
diff --git a/biology/tinker/pkg-descr b/biology/tinker/pkg-descr index eee99649421d..a34d7f69fd53 100644 --- a/biology/tinker/pkg-descr +++ b/biology/tinker/pkg-descr @@ -1,10 +1,15 @@ Tinker is a set of small programs for doing general purpose molecular -modeling. Tools are included for energy minimizations, geometry -calculations, and molecular analysis calculations. Tools for converting -coordinate sets are also provided. +modeling calculations. Tools are included for energy minimizations, +geometry calculations, simulated annealing, molecular dynamics, and +molecular analysis calculations. Tools for converting coordinate sets +are also provided. Tinker employs several force fields and minimization +techniques. -Tinker employs several force fields and minimizaation techniques. -Simulated annealing and molecular dynamics can be performed with Tinker. +This port sets the maxatm value to 2500 atoms. This should be +sufficient for most molecular systems. Should you need to work with +larger systems you can set the maxatm parameter in the sizes.i file +located in the tinker/source directory and recompile. Note that if it +is set too large that tinker programs will abort and core dump. For more information about Tinker see: |