[gmx-users] pdb2gmx - .top missing values
lindahl at stanford.edu
Tue Oct 8 06:04:53 CEST 2002
Dallas Warren wrote:
> I have been working on adding my own residue to .rtp, with all the
> ffgmx* files copied to a new force field.
> I managed now to get pdb2gmx to process a pdb file containing the
> residue and spit out the .gro and .top files. However, the .top file
> does not have the bond etc information in it. Any suggestions on why
> this might be the case?
Did you add the bonds for the new rtp entry? And did you get any error
messages when running pdb2gmx?
By the way - there's a program called x2top that can create rtp entries
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