Hi,
This is because :ASP54 etc is not a valid mask. The ‘:’ operator should be
followed by a residue name or a number. In your case, just use the numbers,
e.g. :54.
Hope this helps,
-Dan
On Sun, Nov 5, 2023 at 1:35 PM Kankana Bhattacharjee via AMBER <
amber.ambermd.org> wrote:
> Dear AMBER users,
>
> I am utilsing one of the tools of cpptraj, there I have to mention residue
> names with their respective Ids as a solute mask. I have tried with:
> ":ASP54, MET64, ASN67", I think it is not correct. As I am not getting any
> output.dat file. Please provide me suggestions.
>
> Thanks & Regards
> Kankana Bhattacharjee
> Ph.D. Scholar
> Department of Chemistry
> Ashoka University
> Sonipat, Haryana
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
>
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Sun Nov 05 2023 - 11:30:02 PST
