On Sat, Jul 19, 2014, Vishal Nemaysh wrote:
>
> I am a newbie to use the AMBER 12 and after generate mol2 file i trying to
> run the command as follow:
> *antechamber -i DNA.mol2 -fi mol2 -o DNA.prepin -fo pepi*
Last argument should be "prepi", not "pepi". This may be the problem, since
antechamber is not very good at error handling.
> . I have encountered the following error massege:
> *memory allocation error for *bond*
Can you provide your input mol2 file?
Finally, why do you want the prepi file? We are encouraging users to use
mol2 instead, and would like to retire the prep format (which is just there
because of some code that was written in the 1970's at the very beginning of
Amber.)
...dac
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Received on Sat Jul 19 2014 - 06:00:03 PDT
