Re: [AMBER] Error while creating neutralized topology and coordinates file

From: Mohammed Khaled Tumbi <khaledtumbi.gmail.com>
Date: Tue, 01 Mar 2016 11:41:42 +0000

If you are using TIP3P water box then and you want JC charges then this
loading frcmod.ionsjc_tip3p will help .
use following command:
loadamberparams frcmod.ionsjc_tip3p
Hope it helps.


On Tue, 1 Mar 2016 at 11:38 Bill Ross <ross.cgl.ucsf.edu> wrote:

> You need to load ion parameters to match your water model. 'could not
> find vdw for Na+'
>
> A look at the parameter file names should make it an easy guess which
> one to load.
>
> Bill
>
> On 3/1/16 3:33 AM, Sreemol G wrote:
> > Hello everyone,
> > I am doing simulation of RNA (23 nucleotides) in amber. I have followed
> the
> > tutorial given in this website(
> > http://ambermd.org/tutorials/basic/tutorial1/section2.htm). While while
> > trying to write prmtop and inpcrd files for neutralised system I
> > encountered the following error I have pasted as snapshot. can anyone
> > please tell me how to rectify it??
> > ​
> >
> >
> >
> > _______________________________________________
> > AMBER mailing list
> > AMBER.ambermd.org
> > http://lists.ambermd.org/mailman/listinfo/amber
>
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
>
-- 
--------------------------------------------------------
Tumbi Mohammed Khaled.
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Tue Mar 01 2016 - 04:00:10 PST
Custom Search