[gmx-users] No topology

[Edgar Mixcoha Hernández]

Title: No topology

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:
proteinw.top
-------------------------------------------------------


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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