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example.frcmod
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example.frcmod
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# Very basic frcmod file containing just a skeleton of what these will look like, to check for ability to parse. Adapted from relevant sections in parm99.dat, but
# with frcmod headers added as per "Force field parameter modification file specification"
# in the AMBER docs: http://ambermd.org/formats.html
# Note that I include comments with # in violation of AMBER formats.
NONBON
[#1:1] 0.6000 0.0157 !Ferguson base pair geom.; H
[#1:1]~[#8] 0.0000 0.0000 OPLS Jorgensen, JACS,110,(1988),1657
BOND
[#6:1]~[#6:2] 310.0 1.525 Junmei et al, 1999; C-C
[#6:1]~[#6a:2] 469.0 1.409 JCC,7,(1986),230; (not used any more in TYR); C-CA
ANGL
[#6:1]~[#6:2]~[#8:3] 80.0 120.00 Junmei et al, 1999 acrolein; C -C -O
[#6:1]~[#6:2]~[#8H1:3] 80.0 120.00 Junmei et al, 1999
DIHE
[*:1]~[#6:2]~[#6:3]~[*:4] 4 14.50 180.0 2. Junmei et al, 1999; X -C -C -X
[*:1]~[#6:2]~[#6a:3]~[*:4] 4 14.50 180.0 2. intrpol.bsd.on C6H6; X -C -CA-X
[#6X4:1]-[#6X4:2]-[#8X2:3]-[#1:4] 1 0.16 0.0 -3. Junmei et al, 1999 HO-OH-CT-CT
[#6X4:1]-[#6X4:2]-[#8X2:3]-[#1:4] 1 0.25 0.0 1. Junmei et al, 1999 HO-OH-CT-CT
IMPR
[*:1]~[*:2]~[#6:3]~[#8:4] 10.5 180. 2. JCC,7,(1986),230; improper X -X -C -O