Re: [AMBER] No Na molecule type for genion

From: M. L. Dodson <>
Date: Sat, 17 Mar 2012 08:40:06 -0500

Perhaps you should ask your questions on a gromacs email list. This
list is dedicated to AMBER, not gromacs. AMBER does not use the genion
or grompp utilities.

On Mar 17, 2012, at 12:45 AM, Wholly Peach wrote:

> Dear All,
> I use the following to neutralize the charge
> "genion -s ions.tpr -o 1AKI_solv_ions.gro -p -pname NA -nname CL -nn 8",
> Then I do the following "grompp -f minim.mdp -c 1AKI_solv_ions.gro -p -o em.tpr"".
> However the feedback says there is no Na (sodium) moleculetype.
> I am looking forward to getting a reply from you on it, which is a fatal problem.
> Cheers,
> Wholly

M. L. Dodson
Business email: activesitedynamics-at-gmail-dot-com
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Received on Sat Mar 17 2012 - 07:00:03 PDT
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