Hello!

! ACCEPTOR OH2
! DONOR H1 OH2
! DONOR H2 OH2

Regarding with adding the donor and acceptor list for water, I'm wondering whether this also applies to SWM4 drude model. There is only ACCEPTOR OH2 in original SWM4.

RESI SWM4 0.000 ! SWM4-NDP water
GROUP
ATOM OH2 ODW 0.00000 TYPE DOH2 ALPHA -0.97825258 THOLE 1.3
ATOM OM LPDW -1.11466
ATOM H1 HDW 0.55733
ATOM H2 HDW 0.55733
BOND OH2 H1
BOND OH2 H2
BOND OH2 OM
BOND H1 H2 ! for SHAKE
ANGLE H1 OH2 H2
ACCEPTOR OH2

Last edited by Allen_123; 06/25/20 09:56 AM.