[gmx-users] Inclusion of position_restraints
tsjerkw at gmail.com
Thu Apr 23 11:57:52 CEST 2009
>> When replying, please edit your Subject line so it is more specific
>> than "Re: Contents of gmx-users digest..."
And don't include the whole digest.
> Dear Mark
> Thanks for your reply. as u ask- how many atoms is------Protein A- 5244
> protein B- 4658
> And in one dmpc molecule there is 46 atoms so in 128 it is 5888
>> can u suggest me how it is helpful in making correct topology file.
> As you wrote in your mail you should make two # ifdef POSRES section does it
> means separatly before addind .itp file of Protein A and Protein B????????
You should aim for appropriate #ifdef POSRES sections in each
Tsjerk A. Wassenaar, Ph.D.
Junior UD (post-doc)
Biomolecular NMR, Bijvoet Center
3584 CH Utrecht
More information about the gromacs.org_gmx-users