Re: [gmx-users] Glycoproteion MD

2012-08-31 Thread Leandro Bortot
Hi Guang, You can use the GLYCAM force field, which has parameters for carbohydrates and glycoproteins compatible with AMBER99. You can get the AMBER topology and structure files directly from their web interface, the "Online Glycoprotein Builder" ( http://glycam.ccrc.uga.edu/ccrc/gp/

Re: [gmx-users] Glycoproteion MD

2012-08-31 Thread Laercio Pol Fachin
conformational ensembles within glycoproteins. Carbohydrate Research 345 (2010) 663–671. Best regards, Laércio Pol-Fachin - Message: 1 Date: Thu, 30 Aug 2012 21:32:00 -0400 From: Justin Lemkul Subject: Re: [gmx-users] Glyco

?????? [gmx-users] Glycoproteion MD

2012-08-31 Thread ??????
Thanks for your help ,you can call me Guang.I come from China. -- -- ??: "lloyd riggs"; : 2012??8??31??(??) 7:25 ??: "Discussion list for GROMACS users"; ????: Re: [gmx-users] Glycoproteion MD

Re: [gmx-users] Glycoproteion MD

2012-08-31 Thread lloyd riggs
> Datum: Fri, 31 Aug 2012 09:26:38 +0800 > Von: "陈应广" <525342...@qq.com> > An: "gmx-users" > Betreff: [gmx-users] Glycoproteion MD > Dear all I am interested in simulating a model of Glycoproteion. I > could'nt find the define of the re

Re: [gmx-users] Glycoproteion MD

2012-08-30 Thread Justin Lemkul
On 8/30/12 9:26 PM, 陈应广 wrote: Dear all I am interested in simulating a model of Glycoproteion. I could'nt find the define of the residue in any forcefield .rtp file of GMX. I am using Gromacs 4.5.5 . If any one can help me in getting forcefield parameters for charmm27/ OPLS/Amber99 in gromacs

[gmx-users] Glycoproteion MD

2012-08-30 Thread ??????
Dear all I am interested in simulating a model of Glycoproteion. I could'nt find the define of the residue in any forcefield .rtp file of GMX. I am using Gromacs 4.5.5 . If any one can help me in getting forcefield parameters for charmm27/ OPLS/Amber99 in gromacs format please respond. Please s

[gmx-users] Glycoproteion MD

2011-12-14 Thread 陈应广
Dear all I am interested in simulating a model of Glycoproteion. I could'nt find the define of the residue in any forcefield .rtp file of GMX. I am using Gromacs 4.5.5 . If any one can help me in getting forcefield parameters for charmm27/ OPLS/Amber99 in gromacs format please respond. Please s