[gmx-users] Trouble creating topology file

Bill Evans wevans1 at nycap.rr.com
Tue Feb 8 22:56:11 CET 2005


I am trying to create the necessary .top file using pfb2gmx. I start 
with what seems to be a valid  .gro file. It consists of a box that is 
1/2 SI and O and 1/2  flexspc water. I get the output shown in the 
attached file. I checked the database files and SI and O seem to be 
valid atom types. The bottom line is that an error is given:  "Fatal 
error: Residue ' ' not found in residue topology database"

Can someone point me in the right direction to resolve this error?
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