Dear Zhichen, This is not the appropriate forum for your query. It seems you are using votca for coarse grained simulations. Please post at votca@googlegroups.comrelating all your votca queries.
Chandan -- Chandan kumar Choudhury NCL, Pune INDIA On Mon, Nov 18, 2013 at 10:49 AM, cqgzc <guozhicheng...@126.com> wrote: > Hi: > When I am running the ibi procedure, I get the following error message: > A coordinate in file conf.gro does not contain a '.' > Additionally, I check the coordinate file of confout.gro in step_001. It > showed that 'nan' symbol appeared in confout.gro. Just like: > 856 > 1RDX RDX 1 nan nan -nan nan nan -nan > 2RDX RDX 2 nan nan -nan nan nan -nan > 3RDX RDX 3 nan nan -nan nan nan -nan > 4RDX RDX 4 nan nan -nan nan nan -nan > 5RDX RDX 5 nan nan -nan nan nan -nan > 6RDX RDX 6 nan nan -nan nan nan -nan > 7RDX RDX 7 nan nan -nan nan nan -nan > What is wrong with this? How can I fix it? I am very appreciating for > anyone's help. > Best Wishes! > Zhicheng Guo > > -- > View this message in context: > http://gromacs.5086.x6.nabble.com/can-not-write-coordinate-file-when-running-ibi-tp5012535.html > Sent from the GROMACS Users Forum mailing list archive at Nabble.com. > -- > gromacs.org_gmx-users mailing list > gromacs.org_gmx-users@maillist.sys.kth.se > https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users > * Please search the archive at > http://www.gromacs.org/Support/Mailing_Lists/Search before posting! > * Please don't post (un)subscribe requests to the list. Use the > www interface or send it to gmx-users-requ...@gromacs.org. > * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists > -- gromacs.org_gmx-users mailing list gromacs.org_gmx-users@maillist.sys.kth.se https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/Search before posting! * Please don't post (un)subscribe requests to the list. Use the www interface or send it to gmx-users-requ...@gromacs.org. * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
