Re: [AMBER] Disulphide bonds

From: Gustaf Olsson <gustaf.olsson.lnu.se>
Date: Tue, 15 Dec 2020 07:43:17 +0000

Thank you Carlos and David, printBonds did the trick fast and simple.

I came to the realisation that I should have spent a little more time checking the available options in parmed though thank you very much for supplying a solution.

This will come in handy next time working on a multi molecular system.

Best regards
// Gustaf


> On 14 Dec 2020, at 15:11, David A Case <david.case.rutgers.edu> wrote:
>
> On Mon, Dec 14, 2020, Bill Ross wrote:
>
>> If you run MD in vacuum at 100K or more, it should become apparent if
>> the bond is there.
>
> Far easier: just use the parmed printBonds action to print out the bonds
> in the relevant region.
>
> ....dac
>
>
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