Dear Amber Users,
� � �I am trying to find the general amber force field (gaff) dihedral parameters for furan and thiophene molecules.�
In the gaff.dat, there are no "cc-os-cc-cd" and "cc-ss-cc-cd" type parameters in the dihedral term.
cc -�Sp2 carbons in non-pure aromatic systems
os -�Ether and ester oxygen
cd -�Sp2 carbons in non-pure aromatic systems, identical to cc
ss -�Sp3 S in thio-ester and thio-ether
I have searched few papers and old amber ffs, but I could not find them for gaff.
If you know these type parameters, would you please let me know or how can I find them?
Thanks.�
Best regards,
Changwoon Jang�
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Received on Mon Apr 22 2013 - 07:30:03 PDT
