@ram... why dont u post what u did along with the part of the structure/file attached ... and what is the error and what u did to rectify...
and as per as i know, if u are working with DNA system along with CHARMM forcefield, u should be careful with the atom types ... since u haven't mentioned. i think the O2 part is from DNA and adding that atom type in aminoacid file (aminoacid.rtp) may not serve ur purpose ............ please check which part does it belong to ( i think its the temini of DNA) and provide the proper aliases and use it .. Thank u Gurunath On Sat, Jun 9, 2012 at 6:43 PM, Mark Abraham <[email protected]>wrote: > On 9/06/2012 11:08 PM, ramaraju801 wrote: > >> as i said my system is an protein-DNA complex and the error popped up only >> for atoms in DNA residues. >> > > That's about 1% of the detail you'll need to provide in order for it to be > worth any more of anybody's time helping you :-) See > http://www.gromacs.org/Support for advice on how to effectively ask for > help. A complete description of your system contents, and copied and pasted > input and output is essential. You already know from past threads that your > termini are an issue, so make sure you focus on those details. > > Mark > > -- > gmx-users mailing list [email protected] > http://lists.gromacs.org/**mailman/listinfo/gmx-users<http://lists.gromacs.org/mailman/listinfo/gmx-users> > Please search the archive at http://www.gromacs.org/** > Support/Mailing_Lists/Search<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 [email protected]. > Can't post? Read > http://www.gromacs.org/**Support/Mailing_Lists<http://www.gromacs.org/Support/Mailing_Lists> >
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