Re: [AMBER] To build a single covalent bond in a protein-ligand complex using AMBER18.

From: Elvis A F Martis <martiseaf.elvismartis.in>
Date: Sat, 3 Jul 2021 15:58:52 +0530

Hi
the bond command you are using is incorrect.
It should look something like this

"bond RN2.401.C25 RN2.145.SG" (without quotes)


On Sat, 3 Jul 2021 at 15:18, PRIYANKA PUROHIT <p.purohit.bioinfo.gmail.com>
wrote:

> Dear Sir,
> I am Priyanka Purohit, a research scholar of Berhampur University, Odisha,
> India. I have a query regarding the single covalent bond formation in a
> protein-ligand complex using the AMBER18 tleap command ' bond RN2.401.C25
> CYS.145.SG - ' . But I am having certain errors ' Error: bond: Argument #1
> is type String must be of type: [atom] usage: bond <atom1> <atom2> [order]
> ' while using it. So, I need your kind suggestions to know the exact
> process to build a single covalent bond by using AMBER18.
> Thanking you in advance, Waiting for your kind reply.
> Regards,
> Priyanka Purohit ,
> Research Scholar.
> Berhampur University,
> Odisha,India.
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>


-- 
Best Regards
Elvis
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Received on Sat Jul 03 2021 - 03:30:02 PDT
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