Hi, I want to simulate the ethanol system, and I generate the .itp and .gro files of ethanol by myself. At first, I take the ethanol as solute and create the box and add water into it, everything is ok. But when I take ethanol as solvent, create an box with an organic name as tob and try to fill it with organic solvent using following instruction: "genbox -cs box.gro -cp ethanol.gro -p unk.top -o sol.gro" the message below was provided and stopped without any error prompt¡£
Opening library file /usr/local/gromacs/share/gromacs/top/aminoacids.dat Opening library file /usr/local/gromacs/share/gromacs/top/atommass.dat Opening library file /usr/local/gromacs/share/gromacs/top/vdwradii.dat Opening library file /usr/local/gromacs/share/gromacs/top/dgsolv.dat #Entries in atommass.dat: 82 vdwradii.dat: 29 dgsolv.dat: 7 Reading solute configuration tob.gro created by rdparm2gmx.pl ? 3?11 22:16:58 CST 2008 Containing 69 atoms in 1 residues Initialising van der waals distances... Reading solvent configuration "eth.gro created by rdparm2gmx.pl ? 4?13 21:55:51 CST 2008 solvent configuration contains 9 atoms in 1 residues is there someone can tell me how to handl this problem? Thank you in advance! Liang Zhu _______________________________________________ gmx-users mailing list gmx-users@gromacs.org http://www.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/search before posting! Please don't post (un)subscribe requests to the list. Use the www interface or send it to [EMAIL PROTECTED] Can't post? Read http://www.gromacs.org/mailing_lists/users.php
