[gmx-users] Atom type not found.

Chris Shaw chrisbiochem at yahoo.co.uk
Fri Nov 22 13:41:56 CET 2002


Hi all, 

Thanks to lotza help I have started to do a protein / lipid simulation, which is fine. I used ffgmx forcefield to do this along with lipid.itp & dppc.itp as an #include from peters web site. My only probelm is that when I follow exactly the same procedure using ffG43x forcefield, I get an atom type CA not found error in when I used grompp for protein position restraint run. Any ideas, I have looked previous answers to this and had a look through the respective .atp, nb.itp files etc but I am still really stuck. Could anyone please help ;-)

Cheers

Chris




---------------------------------
Get a bigger mailbox -- choose a size that fits your needs.
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-users/attachments/20021122/efcf36bc/attachment.html>


More information about the gromacs.org_gmx-users mailing list