回复: [gmx-users] About HPO4

2012-11-20 Thread 闪耀星空
Dear Justin, Thank you for your help!I edited a parameter about HPO4 in force field 43a1 by myself as follows: [ PO4 ][ atoms ] P P 1.924 0 O1 OM -1.127 0 O2 OM -1.127 0 O3 OM -1.127 0 O4 OA -0.949 0 H4 H 0.404 0[ bonds ] P O1 gb_13 P O2 gb_13 P O3 gb_13 P O4 gb_27 H4 O4 gb_1 [ exclusions ];

Re: 回复: [gmx-users] About HPO4

2012-11-20 Thread Justin Lemkul
On 11/20/12 9:00 AM, 闪耀星空 wrote: Dear Justin, Thank you for your help!I edited a parameter about HPO4 in force field 43a1 by myself as follows: [ PO4 ] [ atoms ] P P1.924 0 O1OM -1.127 0 O2OM -1.127 0 O3OM -1.127 0 O4OA