[gmx-users] make_ndx specific residues backbone in Chain A and B

[Justin Lemkul]

On 3/2/15 5:23 AM, RJ wrote:
> Dear all,
>
>
> How do i select different chain backbone in make_ndx ?
>
>
> i could select the chain A and B desperately but cant select them together.
>
>
> The manual says 'chain' ch1 [ch2 ..]
>
>
> I tried as like the manual, but end up with error;
>
>
> chain A | chain B & r 236-297 | r 321-400 | r 433-512 | r 526-1057 [r 322-598 | r 616-722] & 4
>

4 & chain A | 4 & chain B should merge the two backbone groups.  If you need 
subsets of those, it's syntactically easier (and much easier to follow if you're 
going back and checking things) to make a subset group of one chain in one step, 
then merge that subset with the other chain, e.g.

4 & chain B & r XXX-YYY

4 & chain A | (the first group)

-Justin

-- 
==================================================

Justin A. Lemkul, Ph.D.
Ruth L. Kirschstein NRSA Postdoctoral Fellow

Department of Pharmaceutical Sciences
School of Pharmacy
Health Sciences Facility II, Room 629
University of Maryland, Baltimore
20 Penn St.
Baltimore, MD 21201

jalemkul at outerbanks.umaryland.edu | (410) 706-7441
http://mackerell.umaryland.edu/~jalemkul

==================================================