Hi there, You said ACPYPE didn't work… Can you give details? Have you try with GAFF first? If you don't mind, can you post me your molecule in private email?
Thanks, Alan On 9 July 2013 22:34, Melchor S. <msm...@cid.csic.es> wrote: > Sorry for the misunderstanding. I should had explained it better. > > I know that is a zwitterionic residue, I have run several simulations with > the same PDB and with other forcefields. ACPYPE does not work, I tried it > yesterday, but I have to check it. Antechamber I don't know, I have to try > it. > > Also I will try to find other related parameters, but I was searching > without succes. Could you suggest me something? > > Thanks for all your answers > > > > -- > View this message in context: > http://gromacs.5086.x6.nabble.com/Problem-with-Amber99SB-ILDN-ff-tp5009641p5009717.html > Sent from the GROMACS Users Forum mailing list archive at Nabble.com. > -- > 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 > -- Alan Wilter SOUSA da SILVA, DSc Bioinformatician, UniProt - PANDA, EMBL-EBI CB10 1SD, Hinxton, Cambridge, UK +44 1223 49 4588 -- 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
