On Thu, Oct 24, 2013, Johannes Zuegg wrote:
>
> I was trying to build a model using ff10 (tleap> source leaprc.ff10), and
> after neutralizing the model (tleap> addions m01 Na+ 0) I tried to save it
> (tleap> saveamberparm m01 .) but it complains that it does not have
> parameters for Na+
Please see section 2.9 ("Ions") in the AmberTools Manual. You have to load ion
parameters that are consistent with the water model you are using.
> If not, can I just add the corresponding entries from parm99.dat into
> parm10.dat?
No...please follow the instructions in the Manual.
...regards...dac
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Thu Oct 24 2013 - 04:30:03 PDT
