Quoting JMandumpal <[EMAIL PROTECTED]>: > Dear Gromacs users > > When I run Energy minimisation using the command, > > grompp -f em.mdp -p topol.top -c out.gro -o pr.tpr, I received the following > error message. > > ********************************************************** > > processing coordinates... > double-checking input for internal consistency... > ERROR: The cut-off length is longer than half the shortest box vector or > longer than the smallest box diagonal element. Increase the box size or > decrease rlist. > > ------------------------------------------------------- > Program grompp, VERSION 3.3.2 > Source code file: grompp.c, line: 1111 > > Fatal error: > There were 1 error(s) processing your input > ------------------------------------------------------- > ******************************************************************* > > MY BOX DIMENSION IS 20.1 * 20.1 * 20.1
Angstoms or nanometers? > > I CHANGED THE RLIST, FOR A LOWER VALUE: STILL THE MESSAGE IS SAME. What was the initial value? What did you change it to? What are you trying to do? You need to provide explicit information to get a useful response. > > Note: I copied the .mdp file form the gromacs users list ( DECMEBER 2001) What is in this .mdp file? There are lots out there on the archive... -Justin > > regards, > Jestin Mandumpal > > > > > ======================================== Justin A. Lemkul Graduate Research Assistant Department of Biochemistry Virginia Tech Blacksburg, VA [EMAIL PROTECTED] | (540) 231-9080 http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin/ ======================================== _______________________________________________ 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
