gromacs_amber14sb_bugfix

Bugfix of amber14sb force field of gromacs following webpages:

Fixing bugs in FF14SB port for Gromacs

http://zhenglz.blogspot.com/2017/05/fixing-bugs-in-ff14sb-port-for-gromacs.html

Add the following two lines in the ffbonded.itp after the 730th lines:

NA  CW  CC  CT       4      180.00     4.60240     2     ;;; HID force field added
NA  CV  CC  CT       4      180.00     4.60240     2     ;;; HID force field added

The atom type CV and CW here are similar and share the same parameter value.

Install new amber force fields ports in Gromacs

http://zhenglz.blogspot.com/2017/05/install-new-amberff-ports-in-gromacs.html

Contact

Michio Katouda ([email protected])