Re: [AMBER] Leap ff10 and Sodium ion

From: case <>
Date: Thu, 24 Oct 2013 07:25:08 -0400

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.


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Received on Thu Oct 24 2013 - 04:30:03 PDT
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