Hello, Jeyaram
You upload leaprc.water.opc file. so they automatically upload all file.
if you using amber 16 the path is Software/amber16/dat/leap/cmd
hopefully, file is work
On Tue, Sep 12, 2017 at 7:51 PM, Jeyaram R A <ra.jeyaram.vit.ac.in> wrote:
> Thank You, i forget to introduce the force field for protein. Now i use
> protein.ff14SB. But now i have the error due to the Sodium atom. For this
> case, i used loadamberparams frcmod.ionsjc_tip3p. Again it shows the same
> error. I use the following commands in tleap
> >source leaprc.gaff
>
> >source leaprc.protein.ff14SB
>
> >loadamberprep 1.prepin
>
> >loadamberprep na.prepin
>
> >loadamberparams 1.frc
>
> >loadamberparams gaff.dat
>
> >loadamberparams frcmod.ionsjc_tip3p
>
> >abc = loadpdb 2.pdb
>
> >addions abc Na +1
>
> >source leaprc.water.tip3p
>
> >solvatebox abc TIP3PBOX 10.0
>
> >saveamberparm abc 1.top 1.crd
> I got the error message as :
> For atom: .R<Na+ 324>.A<Na 1> Could not find vdW (or other) parameters for
> type: Na
>
>
> Thank You
> with regards,
> R. A. Jeyaram
>
> ________________________________________
> From: David A Case <david.case.rutgers.edu>
> Sent: Tuesday, September 12, 2017 4:51 PM
> To: AMBER Mailing List
> Subject: Re: [AMBER] Atom does not have file type -reg.
>
> On Mon, Sep 11, 2017, Jeyaram R A wrote:
> >
> >
> > FATAL: Atom .R<ASN 22>.A<CA 2> does not have a type.
>
> Did you load a protein force field? Look carefully at your tleap output.
> One (often frustrating) feature/bug of tleap is that it will soldier
> on even if there are errors. So (for example) if you misspelled the name
> of the protein force field you want, tleap would print an error message,
> but continue on, giving errors like that above.
>
> Of course, there are other things that could have gone wrong, but the
> output from tleap is pretty informative, once you get some experience in
> reading it.
>
> ....dac
>
>
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Received on Tue Sep 12 2017 - 08:30:04 PDT
