[gmx-users] No topology

Edgar Mixcoha Hern=?ISO-8859-1?B?4Q==?=ndez edgarmixcoha at gmail.com
Sat Jun 10 09:34:20 CEST 2006

I just want to generate the topology of one protein with water. Previously I
had obtained the archive .gro from a .pdb, I used editconf to make a box
after I used genbox to add waters to protein. The archive .gro is generated
but I have tried many times and with other proteins and I can't generate the
archive .top

I am using the correct command: genbox -cp protein.gro  -cs spc216.gro -o
proteinw.gro -p proteinw.top

The error that I recive is:

Processing topology
Program genbox, VERSION 3.3.1
Source code file: futil.c, line: 340

File input/output error:

I will thank if someone can help me.

Edgar Mixcoha Hernández, Chemist, BSc
Laboratorio de Bioquímica, Edificio de Posgrado
Escuela Nacional de Medicina y Homeopatía, IPN
Lab +52 55 5729 6000 ext 55562
Mobile +52 55 2955 2219

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