Hi Justin
I have changed all the force field parameters as below, (I have already
shown my ffbonded.itp file)
ffnonbonded.itp
; name bond_type mass charge ptype sigma epsilon
opls_966 CA 6 12.01100 0.240 A 3.5000e-01
3.3600e-01
opls_967 CA 6 12.01100 0.180 A 3.5000e-01
3.3600e-01
opls_968 HB1 1 1.00800 0.060 A 2.5700e-01
2.1000e-01
opls_969 HB2 1 1.00800 0.060 A 2.5700e-01
2.1000e-01
opls_970 HB3 1 1.00800 0.060 A 2.5700e-01
2.1000e-01
opls_971 HA1 1 1.00800 0.060 A 2.5700e-01
2.1000e-01
opls_972 HA2 1 1.00800 0.060 A 2.5700e-01
2.1000e-01
atomname2type.n2t
C opls_136 -0.120 12.011 4 C 0.153 H 0.11 H 0.110 H 0.110
C opls_966 0.240 12.011 4 C 0.153 H 0.11 H 0.110 O 0.143
C opls_135 -0.180 12.011 4 C 0.153 H 0.11 H 0.110 H 0.110
O opls_154 -0.700 15.999 2 C 0.143 H 0.097
aminoacid.rtp
[ Pva ]
[ atoms ] ; see atomtypes.atp for explainations
CB opls_136 -0.120 1
HB1 opls_968 0.060 1
HB2 opls_969 0.060 1
CA opls_966 0.240 2
..... (contd)
so I have maintained consistency in my atom types in the ffbonded.itp files.
When I am running Grompp, it gives 7988 errors and I have 9088 atoms in my
polymer chain. All the errors mentioned are No default Ryckaert-Bell. types,
which I explained to you in my first mail.
So I am still unsure as to what my problem is and how I should deal with it.
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