[gmx-users] run pdb2gmx

Fernando Mattio mattiofer at gmail.com
Wed Sep 28 15:44:15 CEST 2005

I just had a similar problem, a fatal error appeared when I used the
pdb2gmx... In my case what I wanted was to generate the .gro file, and with
this it was possible:
editconf -f input.pdb -o output.gro
And the fatal error didn´t appear! I can´t say more about this, I am just
new in the Gromacs... But I hope it can helps you too.
Good luck.

2005/9/28, Weidong Xin <xin at sun3.oulu.fi>:
> Hi, there,
> When I run pdb2gmx I get this error:
> Fatal error: Residue 'POPC' not found in residue topology database
> Does anyone know how to correct this? If anyone has any suggestions I
> would appreciate them.
> Thank you for your time
> Weid
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