From: Akshay Bhatnagar (akshaybhatnagar2790_at_gmail.com)
Date: Wed Sep 03 2014 - 02:36:04 CDT
With Regards
Akshay Bhatnagar
PhD Student
BITS Pilani Hyderabad Campus
---------- Forwarded message ----------
From: Akshay Bhatnagar <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" <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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