blockquote, div.yahoo_quoted { margin-left: 0 !important; border-left:1px #715FFA solid !important; padding-left:1ex !important; background-color:white !important; } Thank you soooooooo much
Sent from Yahoo Mail for iPhone On Wednesday, August 9, 2017, 5:36 PM, Milan Melichercik <melicher...@nh.cas.cz> wrote: Hi, The message says you have used older Gromacs for analysis than was the tpr file was created with. For 2016.x versions you have to use "gmx trjconv" instead of plain trjconv. The trjconv you have called is probably from your Linux distribution and in old version - you can find its binary file using "which trjconv". BTW why do you store the output to odb file? Cause it will be huge. You should extract only one frame (starting/final) using -dump and than the whole trajectory to xtc file (sure you can use -dt switch or you can skip frames in VMD during the load of xtc file). Best, Milan Sent from my BlackBerry 10 smartphone. Original Message From: farial tavakoli Sent: streda, 9. augusta 2017 14:18 To: Discussion List for GROMACS Users Reply To: gmx-us...@gromacs.org Subject: [gmx-users] remove the jumps over the boundaries Dear GROMACS users I am using GROMACS 2016.3 and ran a md simulation on my complex. Now i need to visualize my .xtc file. When i loaded the confout.gro and traj_comp.xtc in VMD , it has pbc problem, so I issued this command: trjconv -s topol.tpr -f traj.xtc -o protein.pdb -pbc nojump -dt 10 but faced to this error: Fatal error: reading tpx file (md_0_1.tpr) version 110 with version 83 program is anybody help me to solve this problem? thanks in advanceFarial -- 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. --- Upozorneni: Neni-li v teto zprave vyslovne uvedeno jinak, ma tato E-mailova zprava nebo jeji prilohy pouze informativni charakter. Tato zprava ani jeji prilohy v zadnem ohledu ustavy AV CR, v.v.i. k nicemu nezavazuji. Text teto zpravy nebo jejich priloh neni navrhem na uzavreni smlouvy, ani prijetim pripadneho navrhu na uzavreni smlouvy, ani jinym pravnim jednanim smerujicim k uzavreni jakekoliv smlouvy a nezaklada predsmluvni odpovednost ustavu AV CR, v.v.i. Disclaimer: If not expressly stated otherwise, this e-mail message (including any attached files) is intended purely for informational purposes and does not represent a binding agreement on the part of Institutes of CAS. The text of this message and its attachments cannot be considered as a proposal to conclude a contract, neither the acceptance of a proposal to conclude a contract, nor any other legal act leading to concluding any contract; nor it does not create any pre-contractual liability on the part of Institutes of CAS. -- 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. -- 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.