On Thu, Jul 13, 2017, Li, Wen wrote:
>
> After a pdb was loaded to leap in order to set up a pmemd run for an
> RNA+protein system, saveamberparm failed due to the unperturbed charge
> of the unit is not integral, for example, the charge may be -14.5 or
> 30.6 etc. Could you please tell me how to get rid of the problem.
This message is only an informational message. If your LEaP failed to produce
a prmtop file, there must have been some other problem. Please look at the
outputs (and the leap.log file) carefully to look for errors.
.....dac
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Received on Thu Jul 13 2017 - 14:30:02 PDT
