Hi Mark, Is there anyway to define NMR distance restraints in MD simulations to do refinement for the complex structure.
On Tue, May 21, 2013 at 10:11 AM, Mark Abraham <[email protected]>wrote: > You can't - the atoms must be part of the same [moleculetype]. The good > news is that a [moleculetype] can have whatever you want in it, so you can > have more than one molecule. The bad news is that you'll have to be cunning > with renumbering atoms in the merged [moleculetype] and there's no tools > that do that. (Or maybe there's a smart-alec trick using the pull code, but > I have no idea what.) > > Mark > > > On Tue, May 21, 2013 at 4:20 PM, Rama <[email protected]> wrote: > > > > > Dear Gromacs users, > > > > How to define distance restraints between two molecules(protein and a > > lipid) > > in a topology file. > > > > > > Thanks.. > > > > > > > > -- > > View this message in context: > > http://gromacs.5086.x6.nabble.com/Distance-restraints-tp5008421.html > > Sent from the GROMACS Users Forum mailing list archive at Nabble.com. > > -- > > gmx-users mailing list [email protected] > > 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 [email protected]. > > * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists > > > -- > gmx-users mailing list [email protected] > 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 [email protected]. > * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists > -- gmx-users mailing list [email protected] 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 [email protected]. * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
