Re: [AMBER] "Spiderweb"

From: Ross Walker <ross.rosswalker.co.uk>
Date: Thu, 26 Apr 2012 06:59:00 -0700

Hi min,

You are using the wrong file format for the inpcrd file. Inpcrd files are
considered as restart files by VMD so use AMBER restart as the file format.

Take a look at: http://ambermd.org/tutorials/basic/tutorial2/

All the best
Ross

> -----Original Message-----
> From: jun kit [mailto:klorin2002.yahoo.co.uk]
> Sent: Thursday, April 26, 2012 6:52 AM
> To: AMBER List
> Subject: [AMBER] "Spiderweb"
>
> Dear Amber,
>
> i successfully create the PRMTOP file and INPCRD file succesfully based
> on tutorial but on my own ligand without error but when i load the
> PRMTOP and INPCRD into the VMD my molecules become "spiderweb". Will
> the different theory of charge derivation will yield bonding
> information?
>
> Regards
> min
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> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber


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Received on Thu Apr 26 2012 - 07:00:04 PDT
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