[gmx-users] martini coarse-grained

2012-04-10 Thread dina dusti
become similar together!!! Please help me. Thank you very much again. Best Regards Dina From: Tsjerk Wassenaar To: dina dusti ; Discussion list for GROMACS users Sent: Tuesday, April 10, 2012 11:38 PM Subject: Re: [gmx-users] martini coarse-grained Hi

Re: [gmx-users] martini coarse-grained

2012-04-10 Thread Tsjerk Wassenaar
___ > From: XAvier Periole > To: dina dusti ; Discussion list for GROMACS users > > Sent: Tuesday, April 10, 2012 5:16 PM > Subject: Re: [gmx-users] martini coarse-grained > > > Where did you find the topology? > > On Apr 10, 2012, at 10:44 AM, dina dusti wr

[gmx-users] martini coarse-grained

2012-04-10 Thread dina dusti
molecules in martini_v2.1_aminoacids.itp file. What is your idea about this, Please? Best Regards Dina From: XAvier Periole To: dina dusti ; Discussion list for GROMACS users Sent: Tuesday, April 10, 2012 5:16 PM Subject: Re: [gmx-users] martini coarse

Re: [gmx-users] martini coarse-grained

2012-04-10 Thread XAvier Periole
Where did you find the topology? On Apr 10, 2012, at 10:44 AM, dina dusti wrote: Dear GROMACS Specialists, I have doubt about definition of tiofen ring in MARTINI CG force field. May I ask you to help me, Please? I defined if as: SC4 and SC5, that SC5 is as S-C-C and SC4 is as C- C. Is it

[gmx-users] martini coarse-grained

2012-04-10 Thread dina dusti
Dear GROMACS Specialists, I have doubt about definition of tiofen ring in MARTINI CG force field. May I ask you to help me, Please? I defined if as: SC4 and SC5, that SC5 is as S-C-C and SC4 is as C-C. Is it right? Or should I change SC5 to C-S-C for .gro file? And my definition of tiofen in .it