Re: [gmx-users] oligoglycines

2011-03-29 Thread nishap . patel
Thanks Tsjerk! Looks like it is working! Quoting Tsjerk Wassenaar : Hi Nisha, For building you can also use pymol if you have it installed. On the command line you can issue: pymol -qcd 'editor.build_peptide("GGG");cmd.save("triglycine.pdb","not hydro")' Hope it helps, Tsjerk On Mon,

Re: [gmx-users] oligoglycines

2011-03-28 Thread Tsjerk Wassenaar
Hi Nisha, For building you can also use pymol if you have it installed. On the command line you can issue: pymol -qcd 'editor.build_peptide("GGG");cmd.save("triglycine.pdb","not hydro")' Hope it helps, Tsjerk On Mon, Mar 28, 2011 at 6:05 PM, wrote: > Hello, > >   I want to simulate n-glycine

Re: [gmx-users] oligoglycines

2011-03-28 Thread nishap . patel
Thanks Justin! Nisha P Quoting "Justin A. Lemkul" : nishap.pa...@utoronto.ca wrote: Hello, I want to simulate n-glycines (diglycine, triglycine..etc) I tried to get the structure from PRODRG, but the program adds H's on the N-terminal instead of on C- terminal. Is there another pr

Re: [gmx-users] oligoglycines

2011-03-28 Thread Justin A. Lemkul
nishap.pa...@utoronto.ca wrote: Hello, I want to simulate n-glycines (diglycine, triglycine..etc) I tried to get the structure from PRODRG, but the program adds H's on the N-terminal instead of on C- terminal. Is there another program I could use, or a site where I could get the structur

[gmx-users] oligoglycines

2011-03-28 Thread nishap . patel
Hello, I want to simulate n-glycines (diglycine, triglycine..etc) I tried to get the structure from PRODRG, but the program adds H's on the N-terminal instead of on C- terminal. Is there another program I could use, or a site where I could get the structure of oligoglycines? For exampl