Thanks sir for your support. Dear justin sir do u hv any more ideas On 20 Jun 2017 18:54, "Mark Abraham" <mark.j.abra...@gmail.com> wrote:
> Hi, > > Follow ATB's directions for how to use the files it produces. If ATB is > creating a new atom type, then it will be supplying parameters that belong > in the [atomtypes] directive, and their site needs to give you instructions > for how to get those recognized. Search their website and ask on their > support channel. > > Mark > > On Tue, Jun 20, 2017 at 3:21 PM Shivangi Agarwal < > shivangi.agarwal...@gmail.com> wrote: > > > 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. > > > -- > 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.