thank you so much. after deleting from -select its now working.but the fatal error is Molecule in topology has atom numbers below and above natoms (565). You are probably trying to use a trajectory which does not match the first 565 atoms of the run input file. You can make a matching run input file with tpbconv.
On 5/28/18, SHAHEE ISLAM <islamsha...@gmail.com> wrote: > after deleting -select > this error is coming > Invalid command line argument: > cog of group "Chain_A" plus cog of group "Chain_B" > > > On 5/28/18, Soham Sarkar <soham9...@gmail.com> wrote: >> Delete from -select.. previous are ok >> >> On Mon, 28 May 2018, 3:12 pm SHAHEE ISLAM, <islamsha...@gmail.com> wrote: >> >>> hi, >>> to calculate the distance between the center of geometry of two >>> proteins, i am using this command >>> g_dist -f md_0_1_noPBC.xtc -s dynamic.tpr -n index.ndx -o distave.xvg >>> -select 'cog of group "Chain_A" plus cog of group "Chain_B"' >>> Invalid command line argument: >>> -select >>> here in this index file the two chain group name Chain_A and Chain_B >>> how i will select the two chain. >>> >>> thanking you >>> shahee islam >>> university of calcutta >>> -- >>> 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. >> > -- 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.
