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 ];
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
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