Re: Fwd: Reg: solvation in DMSO

From: Kenno Vanommeslaeghe (kvanomme_at_rx.umaryland.edu)
Date: Wed Sep 03 2014 - 14:43:59 CDT

We saw your post the first time. If you didn't get a reply, then maybe you
should think whether there's a problem with your question instead of
posting the exact same thing again.

> can anyone tell me the reason for this error and how to get it done.

No, I don't think anyone can do that given the available information.

On 09/03/2014 03:36 AM, Akshay Bhatnagar wrote:
>
> With Regards
> Akshay Bhatnagar
> PhD Student
> BITS Pilani Hyderabad Campus
>
>
>
> ---------- Forwarded message ----------
> From: *Akshay Bhatnagar* <akshaybhatnagar2790_at_gmail.com
> <mailto:akshaybhatnagar2790_at_gmail.com>>
> Date: Mon, Sep 1, 2014 at 10:31 AM
> Subject: namd-l: Reg: solvation in DMSO
> To: "namd-l_at_ks.uiuc.edu <mailto:namd-l_at_ks.uiuc.edu>" <namd-l_at_ks.uiuc.edu
> <mailto:namd-l_at_ks.uiuc.edu>>
>
>
> Hello
>
> I am trying to solvate cystine molecule in DMSO for MD simulation. but,
> during solvation it has given the following error :
>
> atomselect: cannot parse selection text: segid QQQ and -OSC2H6 and same
> residue as (x < -9.0 or x > 11.0 or y < -9.0 or y > 11.0 or z < -9.0 or
> z > 11.0 or within 2.4 of (not segid QQQ))
>
> can anyone tell me the reason for this error and how to get it done.
>
>
> With Regards
> Akshay Bhatnagar
> PhD Student
> BITS Pilani Hyderabad Campus
>
>

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