Re: duplicate residue key ALA will be ignored

From: Mert Gür (gurmert_at_gmail.com)
Date: Tue May 18 2010 - 11:37:57 CDT

I think there is a misunderstanding.

The only think I am doing is typing

 topology top_all27_prot_lipid.inp

one time into the TKConsole in Vmd. I havent started any simulation yet.

These are the files that I got from

toppar_c35b2_c36a2

Best,

Mert
On Tue, May 18, 2010 at 7:21 PM, flavio seixas <oivalf_nix_at_yahoo.com> wrote:
>
> It looks like you are using different parameters files: One in for the psf generator, another for the dinamics.
>
> Best,
>
> Flavio
>
> --- On Mon, 5/17/10, Mert Gür <gurmert_at_gmail.com> wrote:
>
>> From: Mert Gür <gurmert_at_gmail.com>
>> Subject: namd-l: duplicate residue key ALA will be ignored
>> To: "NAMD list" <namd-l_at_ks.uiuc.edu>
>> Date: Monday, May 17, 2010, 10:42 PM
>> Hi everyone,
>> I hadn't realized this warning before.
>> When I type
>> topology top_all27_prot_lipid.inp
>>
>> into the TKConsole. I get the following warning.
>>
>> duplicate type key CC2
>> duplicate type key NS1
>> duplicate type key NS2
>> duplicate residue key ALA will be ignored
>> duplicate residue key ARG will be ignored
>> duplicate residue key ASN will be ignored
>> duplicate residue key ASP will be ignored
>>
>> Can anybody tell me what the program tries to tell me.
>> Best,
>>
>>
>
>
>
>

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