[gmx-users] Genereating a PQR file

John Kerrigan kerrigje at umdnj.edu
Sat Jul 8 15:50:07 CEST 2006




The editconf program can generate a pqr file with the -mead flag.  You 
must input the tpr file to editconf in order for this to work properly.

John



More information about the gromacs.org_gmx-users mailing list