Re: [AMBER] Generating topology files for two proteins in a single input pdb

From: George Green <soyo.green.gmail.com>
Date: Tue, 1 Oct 2013 12:55:11 +0100

Regarding the disulphide bond failing it looks like the first one suceeds.
i.e.

a) bond mol.80.SG mol.25.SG

but not the second:

b) bond mol.20.SG mol.75.SG

This fails with the error:

bond: Argument #1 is type String must be of type: [atom]
usage: bond <atom1> <atom2> [order]

I guess the problem is with loading the two proteins as one file. i.e.

mol = loadpdb mou-hum_stage2.pdb




On Tue, Oct 1, 2013 at 12:52 PM, George Green <soyo.green.gmail.com> wrote:

> Regarding the disulphide bond failing it looks like the first one suceeds.
> i.e.
>
>
>
>
> On Tue, Oct 1, 2013 at 12:49 PM, George Green <soyo.green.gmail.com>wrote:
>
>> Looks like we replied at the same time. :)
>>
>
>
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Tue Oct 01 2013 - 05:00:17 PDT
Custom Search