On Mon, August 23, 2010 12:12 PM, Eudes Fileti wrote:
> Well, the line 40 is just one of the 36 parameters not found!
> In this link ( https://sites.google.com/site/fileti/ ) I put
> the complete files.
> I know I need to determine which bond type should be called
> and I believe that it has bee
- Original Message -
From: Eudes Fileti
Date: Tuesday, August 24, 2010 2:12
Subject: Re: Re: [gmx-users] Charmm to Gromacs: Polyols force field [Justin]
To: gmx-users@gromacs.org
> Hello Justin, thanks again.> Well, the line 40 is just one of the 36
> parameters not found!
Hello Justin, thanks again.
Well, the line 40 is just one of the 36 parameters not found!
In this link ( https://sites.google.com/site/fileti/ ) I put the complete
files.
I know I need to determine which bond type should be called and I believe
that it has been done, but I don't know why it's not b
Hello Justin, thank you for answering!
I think I already have done what you suggested when I created my
ffbonded.itp and .rtp files.
I am sending a piece of my topology and ffbonded.itp files.
Follows also the residue from .rtp and the configuration of glycol (.gro)
so you can consider where I mi
Eudes Fileti wrote:
Hello Justin, thank you for answering!
I think I already have done what you suggested when I created my
ffbonded.itp and .rtp files.
I am sending a piece of my topology and ffbonded.itp files.
Follows also the residue from .rtp and the configuration of glycol (.gro)
so yo
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