Re: [AMBER] Parameter files :problem to save

From: Ross Walker <ross.rosswalker.co.uk>
Date: Wed, 28 Sep 2011 21:43:28 -0700

Hi Souvik,

The DNA naming convention in PDB files has changed recently and the tutorial
has been updated to reflect this. Unfortunately that means it won't work
with AMBER v9. You could try this version of the tutorial instead:

http://www.rosswalker.co.uk/tutorials/amber_workshop/Tutorial_one/

All the best
Ross

> -----Original Message-----
> From: souvik sur [mailto:souviksur.hotmail.com]
> Sent: Wednesday, September 28, 2011 9:21 PM
> To: Amber Mailing List
> Subject: [AMBER] Parameter files :problem to save
>
>
> hello,
>
>
> I am trying to make the initial topology file using ff99bsc0 forcefield
> in amber9, the .prepin, .frcmod, .inpcrd, and .prmtop files were saved
> in usual way but when i was trying to add Na+ ions or wanted to
> solvated by TIP3PBOX 8.0 of my molecule the .prmtop and .inpcrd files
> were unable to save, I cannot get it. Can you please guide me the right
> path.
> The error message showed in tleap : parameter file was not saved
>
>
>
> Please guide me.
>
>
> regards,
> Souvik Sur
>
> Ph. D. Student
> Department Of Chemistry
> University Of Delhi
> India
>
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Received on Wed Sep 28 2011 - 22:00:04 PDT
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