On Mon, Feb 05, 2018, Krystyna Zakrzewska wrote:
> I am trying to add ions in leap. I use "addIons c K 0 » as I have been
> doing for years. In ambertools17 I get the message addIons unit ion1
> #ion1 [ion2 #ion2] etc, etc. Unit must be string, which it is. I tried
> everything I could think of. I am on mac.
It would really help to see the *exact* error message (use cut and paste).
I'm guessing(!) that the message said that one of the arguments, probably
"c" or "K" is a string, but should be Unit.
Use the "list" command (or the "desc" command) in leap to make sure that both
c and K are really units.
If you can't figure it out, we need to see all the commands you gave to LEaP.
If you are transitioning from an older version of AmberTools, be sure to
read the section on including leaprc.water.xxxx files (naming scheme changed
back in 2016.) Look carefully in your tleap output and leap.log file for
any errors encountered in loading library files.
....dac
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Received on Mon Feb 05 2018 - 06:30:10 PST
