[gmx-users] Fatal error: Invalid dihedral type 0

[He, Yang]

Hi Mark,

I have tried a lot but it  still did not work. I just ran a similar case whose file content is similar to what I have right now  and it worked , while this always failed.

I will post what I have to you.

Thank you for your help.

Yang


________________________________________
From: gmx-users-bounces at gromacs.org [gmx-users-bounces at gromacs.org] On Behalf Of Mark Abraham [Mark.Abraham at anu.edu.au]
Sent: Saturday, October 25, 2008 10:37 PM
To: Discussion list for GROMACS users
Subject: Re: [gmx-users] Fatal error:  Invalid dihedral type 0

He, Yang wrote:
> Hi Mark,
>
> I have carefully adjusted the parameters but it still doesn't work. I am confused about that because I just dealt with the dihedraltypes before in the same way and it works while for this time, something wrong happened.

Try reading all of the grompp output carefully - paying attention to
warnings, etc. This error message can arise because you've mangled
something elsewhere in the .top file and the parser gets lost. If all
else fails, please post your full command line, the full output of
grompp, your full .mdp file and your full .top file.

Mark
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