While, is it needed to list all the possible interacting (two) atoms in the energygrp_table option? I have more than 3000 possible two-atom pairs, corresponding to more than 3000 table_*.xvg files.
On Wed, Nov 30, 2011 at 12:29 AM, Mark Abraham <mark.abra...@anu.edu.au>wrote: > On 30/11/2011 5:25 PM, Liu, Liang wrote: > > The error shows as "An input file contains a line longer than 4095 > characters, while the buffer passed to fgets2 has size 4095." > > > No text table file needs a line this long. We still don't have information > from you, but I expect you have a malformed file. > > Mark > > > > On Wed, Nov 30, 2011 at 12:22 AM, Mark Abraham > <mark.abra...@anu.edu.au>wrote: > >> On 30/11/2011 5:09 PM, Liu, Liang wrote: >> >> Dear all, >> >> I am trying to use tabulated potentials in my simulation. However, >> there is a limit on energygrp_table and the grompp reports error. >> >> >> What error? >> >> >> The interaction happens between any two of atoms, and their might be >> more than 3000 possible couples. >> What should I do to remove the limit? Thanks. >> >> >> We don't know what limit you are observing. >> >> Mark >> >> -- >> gmx-users mailing list gmx-users@gromacs.org >> http://lists.gromacs.org/mailman/listinfo/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 >> > > > > -- > Best, > Liang Liu > > > > > -- > gmx-users mailing list gmx-users@gromacs.org > http://lists.gromacs.org/mailman/listinfo/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 > -- Best, Liang Liu
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