Re: [AMBER] TUTORIAL B5: Simulating the Green Fluorescent Protein -PREPGEN Error

From: David A Case <david.case.rutgers.edu>
Date: Mon, 21 Nov 2016 09:11:38 -0500

On Sat, Nov 19, 2016, Taylor, Miles wrote:
>
> prepgen -i NRQ.ac -o NRQ.prepin -m NRQ.mc -rn NRQ
>
> Also, here is the NRQ.mc file that I created:
>
> HEAD_NAME N1
> TAIL_NAME C3
> MAIN_CHAIN CA1
> MAIN_CHAIN C1
> MAIN_CHAIN N3
> MAIN_CHAIN CA3
> OMIT_NAME H2
> OMIT_NAME OXT
> OMIT_NAME HXT
> PRE_HEAD_TYPE C
> POST_TAIL_TYPE N
> CHARGE 0.0
>
> Segmentation fault (core dumped)

Can you post the NRQ.ac file so that we could try to reproduce the problem?

...thanks...dac


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Received on Mon Nov 21 2016 - 06:30:09 PST
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