Hello,
I am doing sccdftb calculations in AMBER 12 . Atomtypes which are being
used in the calculations are C, H, N, O, P, MG. During the calculations I
am getting "sccdftb not coverging" error. This error is being removed when
I am using only C, H, N, O but calculations with any of P or MG I am
getting the same error.
Please let me know how should I solve the error.
Thanks
Regards,
Amitosh Gautam
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Received on Thu Sep 29 2016 - 23:00:02 PDT
