Hi, I notice that gmx trjconv does not produce the exact .gro file (slightly different box lengths). I mean when i run following command
gmx trjconv -f NPT.trr -s NPT.tpr -o f.gro -pbc mol -b 2000 I get slightly different box length than when I run gmx energy ... and select box-X,Y,Z. Anyone knows why? (I should add that I have tried looking at different frames and different choices in -pbc flag, but still see the problem ) Best regards --------------------------------------------------------------------------------------- Faezeh Pousaneh Postdoc researcher Department of Mechanical and Industrial Engineering Room 219, Gløshaugen, Richard birkelands vei 2b NTNU, Trondheim, Norway ---------------------------------------------------------------------------------------- -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-requ...@gromacs.org.
