[gmx-users] index file for special residues

[Dallas Warren]

"|" = or

What you want is "&" = and

aptamer | r special = aptamer
aptamer & r special = special

Catch ya,

Dr. Dallas Warren
Drug Delivery, Disposition and Dynamics
Monash Institute of Pharmaceutical Sciences, Monash University
381 Royal Parade, Parkville VIC 3052
dallas.warren at monash.edu
---------------------------------
When the only tool you own is a hammer, every problem begins to resemble a nail.

On Sun, 26 May 2019 at 18:37, mmousivand93 <mmousivand93 at ut.ac.ir> wrote:
>
> Dear all, I am going to generate index file for special residues in my
> aptamer, I use the command " make_ndx -f *.gro -o index.ndx and then
> select group as DNA and Special residue as fallow ">1|r 4 5 7 36    .
> The index file for whole aptamer and special residue is similar, I would
> be appreciate any suggestion.
>
> Best
>
> Maryam
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