TINKER
by Jay Ponder's research group.
The TINKER molecular modeling software is a complete and general package for molecular mechanics and dynamics, with some special features for biopolymers.
TINKER has the ability to use any of several common parameter sets, such as AMBER94/96, CHARMM27, MM2(1991), MM3(2000), OPLS-AA and OPLS-UA. Parameter sets
for other standard force fields such as UFF, ENCAD, MMFF and MM4 are under consideration. In addition, we are actively developing our own TINKER force field
based upon polarizable atomic multipole electrostatics.
Running TINKER:
chmsgi - and any SGI machine that is running IRIX 6.5 or later and has chmsgi:/chem mounted you will need to add the following directory to your PATH in your .tcshrc file:
k2 - you will need to add the following directory to your PATH in your .tcshrc file:
/usr/local/lms/tinker/bin
Trouble-Shooting
error:
xxxx: Command not found. (where xxx is a TINKER command)
The path that you created in your .tcshrc is either incorrect or has not been activated yet. Check the line in your .tcshrc
file and make sure it matches the commands given above. To activate the modified .tcshrc you may log out and log back in or simply type:
This will activate any changes made to your .tcshrc file.
