On Sun, Oct 30, 2011, Gonzalo Jimenez wrote:
> I guess the reason is that tLEAP renumbers the atoms based on
> connectivities, but if I cannot circunvent this default option, I
> basically cannot run TI, right?
The replies given by Jason and Thomas are good ones, but I'm pretty sure tleap
does not change the order of atoms given in the library file you import.
Maybe if you give an example of exactly what you are seeing, we could say
more.
...dac
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Mon Oct 31 2011 - 05:30:08 PDT
