AmberTools (http://ambermd.org/AmberTools.php) is a set of packages than can be to create forcefields (antechamber), prepare molecules(tleap) and much more. |
hg clone https://toolshed.g2.bx.psu.edu/repos/chemteam/parmconv
Name | Description | Version | Minimum Galaxy Version |
---|---|---|---|
to AMBER prmtop in preparation for MMGBSA/MMPBSA | 21.10+galaxy0 | 16.01 |