Thanks for your suggestion. One more thing In topology file generated by ATB, there is HS14 atomtype and i am getting error FATAL error ATomtype HS14 not found
How to handle this error? Kindly suggest On Tue, Jun 20, 2017 at 12:18 PM, Mark Abraham <mark.j.abra...@gmail.com> wrote: > Hi, > > You don't need a file in the gro format. You need coordinates that match > the topology present in any supported file format, eg pdb or g96 etc. > > Mark > > On Tue, 20 Jun 2017 09:01 Shivangi Agarwal <shivangi.agarwal...@gmail.com> > wrote: > > > Hello > > > > I used the ATB server for generation of topology file following Gromacs > > Turorial > > > > http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin/ > gmx-tutorials/complex/02_topology.html > > < > > https://www.researchgate.net/deref/http%3A%2F%2Fwww. > bevanlab.biochem.vt.edu%2FPages%2FPersonal%2Fjustin% > 2Fgmx-tutorials%2Fcomplex%2F02_topology.html > > > > > > > I need obtain two files .itp & .gro. I used the ATB server. > > https://atb.uq.edu.au/molecule.py?molid=225178#panel-md > > > > The server gave me many files (Topology Files and Structure Files). > > I am unable to see my "gro" file. > > Please help > > Your answer is highly appreciated. > > -- > > 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.