Hello, If you need to keep ions.top then see the below link:
http://lists.gromacs.org/pipermail/gmx-users/2010-September/054487.html moeed On 10 March 2011 14:53, tao wei <twei2...@gmail.com> wrote: > Dear Moeed, > > Thanks a lot for your quick response! > That is problem. I do need to include ions.itp. > > Is there anything wrong on this file? Does Gromacs mis-understand C* with > CU2+ ? > Do you think if i only keep the necessary line for these ions that i need? > Thanks for your suggestions! > > Now temporally grompp with the old version of Gromacs, and put it to run it > on the cluster > with new version. But I should find out what is going on for this new > version. > > tao > > > On Thu, Mar 10, 2011 at 1:49 PM, Moeed <lecie...@googlemail.com> wrote: > >> Hi, >> >> Please don't #include "ions.itp" in your topology file if not needed. >> >> moeed >> >> >> On 10 March 2011 13:22, tao wei <twei2...@gmail.com> wrote: >> >>> Hi >>> >>> I saw your post on Gromacs forum about the >>> >>> Fatal error: >>> Atomtype CU2+ not found >>> >>> http://lists.gromacs.org/pipermail/gmx-users/2010-September/053804.html >>> >>> >>> >>> I have found that i have the same problem. >>> I grompp my file with gromacs-4.0.5. I have no problem. >>> But if I change to gromacs-4.5.3 >>> Gromacs just gave me this error report, like yours >>> It looks very strange. >>> >>> >>> >>> Have you solved the problem? >>> Thanks for your information! >>> >>> tao >>> >>> >> >
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