mirror of
https://git.FreeBSD.org/ports.git
synced 2024-11-28 01:06:17 +00:00
17 lines
775 B
Plaintext
17 lines
775 B
Plaintext
Tinker is a set of small programs for doing general purpose molecular
|
|
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.
|
|
|
|
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:
|
|
|
|
WWW: http://dasher.wustl.edu/tinker/
|