Releases: RashmiKumari/g_mmpbsa
Releases · RashmiKumari/g_mmpbsa
update
- Update for MM calculation. Now this calculation is very fast and does not require large memory.
- New option
-incl_14
is added for MM calculation. This option enable the exclusion of 1-2 and 1-3 bonded atom-pairs, and the scaling of 1-4 interactions.
- Minor update and bug-fixes