Hello, At our group we have parameterized ATP, ADP and Pi to use with ABC transporters.
Paper with the parameterization: http://dx.doi.org/10.1021/jp905735y Papers using the parameterized molecules: http://dx.doi.org/10.1002/prot.23023 http://dx.doi.org/10.1002/pro.650 http://dx.doi.org/10.1371/journal.pcbi.1002128 Cheers, João On Fri, Oct 26, 2012 at 4:12 PM, 闪耀星空 <[email protected]> wrote: > GMX-users: > I am working with ATP+protein and ADP+Pi+protein in gromos43a1.ff > force field,but I find only ATP parameters in the aminoacids.rtp file > .Where can I achieve the ADP+Pi parameters ??? I wanted use the > parameters from((http://www.pharmacy.manchester.ac.uk/bryce/amber) ) > but it seemed unsuitable . What can I do??? Please help me with this. > > Thank you very much . > -- > 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 > -- João M. Damas PhD Student Protein Modelling Group ITQB-UNL, Oeiras, Portugal Tel:+351-214469613 -- 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
