Re: [gmx-users] Another problem with DNA

2009-09-17 Thread Mark Abraham
Gunnar Widtfeldt Reginsson wrote: I am trying to run grompp using a pdb file of DNA duplex, a sucessfully generated topology, and the steep.mpd from http://wwwuser.gwdg.de/~ggroenh/SaoCarlos2008/html/build.html#top I am getting the fatal error: Fatal error: [ file spc.itp, line 37 ]: Atom ind

Re: [gmx-users] Another problem with DNA

2009-09-17 Thread Justin A. Lemkul
Gunnar Widtfeldt Reginsson wrote: I am trying to run grompp using a pdb file of DNA duplex, a sucessfully generated topology, and the steep.mpd from http://wwwuser.gwdg.de/~ggroenh/SaoCarlos2008/html/build.html#top I am getting the fatal error: Fatal error: [ file spc.itp, line 37 ]: Atom i

[gmx-users] Another problem with DNA

2009-09-17 Thread Gunnar Widtfeldt Reginsson
I am trying to run grompp using a pdb file of DNA duplex, a sucessfully generated topology, and the steep.mpd from http://wwwuser.gwdg.de/~ggroenh/SaoCarlos2008/html/build.html#top I am getting the fatal error: Fatal error: [ file spc.itp, line 37 ]: Atom index (1) in bonds out of bounds (1-0). Th