Hi everyone, I figured out the problem in my topology. One line which was supposed to be commented was not.
Thanks Lakshman On Mon, Mar 18, 2019 at 3:18 PM Lakshman Ji Verma <[email protected]> wrote: > Hi everyone, > > I am trying to simulate an organic molecule with chloroform as a solvent. > I prepared opls based topology for both the molecules from Ligpargen > server. > The topology for chloroform works fine when I have only chloroform in the > system. I checked it against work done previously. However, when I add the > organic molecule in the system, it gives a *fatal error: Invalid angle > type 1000.* > > I am sure that the topology for the organic molecule is correct because I > have used it with water and ethanol earlier. > I found several similar threads but none was helpful for my case. > > https://gromacs.org-gmx-users.maillist.sys.kth.narkive.com/olYXyODT/invalid-diherdrals#post2 > > https://mailman-1.sys.kth.se/pipermail/gromacs.org_gmx-users/2011-June/062099.html > https://groups.google.com/forum/#!topic/archive-gmx-users/sxdFG1iMbqI > > I checked several times. There are no spelling errors. > I have also tried changing the columns of the atom numbers in angles > section. > > I am wondering if someone encountered such problem and can help me with > this. I would be very grateful. > > I have attached the topology files. > > Thanks > Lakshman > > -- 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 [email protected].
