Dear AMBER users,
There was a small bug of add12_6_4 functionality in ParmEd in AmberTools14, and the bug has been fixed in AmberTools15. If anyone used AmberTools14 to perform adding the C4 terms to the AMBER topology file, please regenerate it using AmberTools15 to check whether there are any big changes happened: e.g. metal-OW C4 parameter switched from one position to another. If you need any help, please send email to AMBER Mailing List. Thanks!
Best regards,
Pengfei
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Received on Sat Mar 05 2016 - 19:00:03 PST
