Thank you very much Dr. Lemkul, I downloaded your file and it works! Actually I downloaded the previous file from Gromacs web: http://www.gromacs.org/Downloads/User_contributions/Force_fields Thanks again for your help!
On Fri, Aug 16, 2019 at 6:22 AM Justin Lemkul <jalem...@vt.edu> wrote: > > > On 8/16/19 2:15 AM, Lei Qian wrote: > > Sorry for this basic question. > > I read previous emails and tried to make pdb2gmx find ffG43a1p.ff. > > I added #include "ffG43a1p.itp" in FF.dat in ffG43a1p.ff folder. Also > tried > > to create a file called forcefield.doc and wrote "ffG43a1p" into it. > > I put these files in working directory > > and /usr/local/gromacs/share/gromacs/top/ directory. However, neither of > > them worked. > > Could I ask how to solve this problem? > > It sounds like you are trying to modify a very old and outdated version > of the files (potentially with an outdated version of GROMACS - FF.dat > is no longer used). The files you want for any post-4.0 version of > GROMACS are in: > > http://www.gromacs.org/@api/deki/files/235/=gromos43a1p-4.5.1.tgz > > -Justin > > -- > ================================================== > > Justin A. Lemkul, Ph.D. > Assistant Professor > Office: 301 Fralin Hall > Lab: 303 Engel Hall > > Virginia Tech Department of Biochemistry > 340 West Campus Dr. > Blacksburg, VA 24061 > > jalem...@vt.edu | (540) 231-3129 > http://www.thelemkullab.com > > ================================================== > > -- > 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.
