Re: [AMBER] Solvating a molecule in amber

From: Shilpa Gupta <guptashilpa0605.gmail.com>
Date: Mon, 11 Dec 2017 11:39:28 +0530

Since the solvent pdb has cations as well anions therefore with loadpdb
command solvent is being added but in unequal number (randomly), and i want
equal number of cations and anions.


On 11 December 2017 at 11:35, Bill Ross <ross.cgl.ucsf.edu> wrote:

> <ignore>You have to manually re-type the pdb file for it to work
> :-)</ignore>
>
> Try loading the box with loadpdb, then use it like you'd use any other box.
>
> Bill
>
>
> On 12/10/17 8:37 PM, Shilpa Gupta wrote:
> > Dear Amber Users,
> > I want to know that how can i solvate the molecule in amber, if the
> solvent
> > box i have generated using packmol rather than creating the whole
> solvated
> > system in packmol.
> >
> >
> > Shilpa
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>
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Received on Sun Dec 10 2017 - 22:30:02 PST
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