On Tue, Mar 03, 2015, Sanmeet Chahal wrote:
>
> I am a new Amber user and so I followed and completed Tutorial B0 up to the
> point of VMD visualization of the result.
>
> I am now trying to repeat the tutorial up to this point with a prmtop and
> inpcrd files that I produce using tleap and a customized frcmod file. Here
> are the steps I take:
>
> I have attached images of the molecules with which I was able to complete
> the tutorial using prmtop and inpcrd files produced with steps 1-6.
We will need to get the actual prmtop and inpcrd files to try to debug
a segfault problem. Was there any output in the mdout file from the
minimzation step that failed?
...thanks...dac
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Received on Wed Mar 04 2015 - 05:30:04 PST
