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 gmx-users@gromacs.org Betreff: [gmx-users] Glycoproteion MD 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

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

2012-08-31 Thread ??????
-Nachricht Datum: Fri, 31 Aug 2012 09:26:38 +0800 Von: ?? 525342...@qq.com An: gmx-users gmx-users@gromacs.org Betreff: [gmx-users] Glycoproteion MD Dear all I am interested in simulating a model of Glycoproteion. I could'nt find the define of the residue in any forcefield .rtp

Re: [gmx-users] Glycoproteion MD

2012-08-31 Thread Laercio Pol Fachin
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 jalem...@vt.edu Subject: Re: [gmx-users

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/

[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

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

[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