On 19/06/2012 4:13 PM, Shima Arasteh wrote:
Dear gmx users,
I want to follow the workflow regarding to
http://www.gromacs.org/Documentation/Terminology/Periodic_Boundary_Conditions
for the second step I enter the command as below:
trjconv -f mdwhole.xtc -s md.tpr -dump 0 -o 1stframe.pdb
But I get the error:
Index[232] 235 is larger than the number of atoms in the
trajectory file (234). There is a mismatch in the contents
of your -f, -s and/or -n files
I don't have any index file, so what this error is talking about?
Then it must mean there's a mismatch in the contents of your -f and -s
files... each must refer to the same system. Something about your past
management of these two files makes your intended operation a nonsense,
but we can't know what. If, for example, you chose xtcgroups in your
.mdp file as something other than System, then they do not.
Mark
How may I solve it? Anybody may suggest me any solution please?
I would be so thankful for your suggestions.
Sincerely,
Shima
--
gmx-users mailing list gmx-users@gromacs.org
http://lists.gromacs.org/mailman/listinfo/gmx-users
Please search the archive at
http://www.gromacs.org/Support/Mailing_Lists/Search before posting!
Please don't post (un)subscribe requests to the list. Use the
www interface or send it to gmx-users-requ...@gromacs.org.
Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
