Edgar Mixcoha Hernández wrote:
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
pdb2gmx
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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--
David.
________________________________________________________________________
David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics group,
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596, 75124 Uppsala, Sweden
phone: 46 18 471 4205 fax: 46 18 511 755
[EMAIL PROTECTED] [EMAIL PROTECTED] http://folding.bmc.uu.se
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