On Fri, Jun 23, 2023, 簡羲煥 via AMBER wrote:
>Also, I have also tried to set ntwf = 500 intended to obtain the mdfrc
>file with using ioutfm = 0 to get the ACSII format (as shown below), but
>I have difficulty in finding what is the meaning of the corresponding
>column. Could you please also give me some instructions ?
It's the same format as a formatted trajectory file, except that the x,y,z
components of each atom's force replace the x,y,z components of each atom's
position.
...hope this helps...dac
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Sat Jun 24 2023 - 05:00:02 PDT
