Re: [gmx-users] ED - Projecting on an eigenvector

2011-06-24 Thread Kavyashree M
Sir, Yes exactly I did the same. I will try with this option now. Thanks. With Regards M. Kavyashree On Sat, Jun 25, 2011 at 2:01 AM, Sarath Chandra Dantu wrote: > I suppose you are writing a extr.pdb form g_anaeig. Try writing down extr. > xtc and load it onto a pdb/gro using vmd. Then it shou

Re: [gmx-users] ED - Projecting on an eigenvector

2011-06-24 Thread Kavyashree M
Hello Sir, It is not a multimer sir, I was a single chain protein which was intact while submitting to MD. It has no problem when I project the 100ns trajectory on the vector but only in case of half of this time -50ns, it has problem. Thank you With Regards M.Kavyashree On Sat, Jun 25, 2011 at

Re: [gmx-users] ED - Projecting on an eigenvector

2011-06-24 Thread Sarath Chandra Dantu
I suppose you are writing a extr.pdb form g_anaeig. Try writing down extr. xtc and load it onto a pdb/gro using vmd. Then it should not be a problem. Best Wishes, Sarath > Did you make the molecules whole and removed jumps (in case of a multimer) > prior to filtering? > > Cheers, > > Tsjerk > >

Re: [gmx-users] ED - Projecting on an eigenvector

2011-06-24 Thread Tsjerk Wassenaar
Did you make the molecules whole and removed jumps (in case of a multimer) prior to filtering? Cheers, Tsjerk On Jun 24, 2011 8:10 PM, "Kavyashree M" wrote: Dear user, When projection of a trajectory (50ns) on an eigen vector was visualised in pymol, there was broken chains, but when I projec

[gmx-users] ED - Projecting on an eigenvector

2011-06-24 Thread Kavyashree M
Dear user, When projection of a trajectory (50ns) on an eigen vector was visualised in pymol, there was broken chains, but when I projected the simulation (continued for 50 more ns ie., total 100ns) this broken chain was not seen why? Thanking you With Regards M. Kavyashree -- gmx-users mailing