回复： [gmx-users] MD simulation of Glycoproteion

who can help me? thanking all -- 原始邮件 -- 发件人: "Yun Shi"; 发送时间: 2011年12月15日(星期四) 上午10:48 收件人: "Discussion list for GROMACS users"; 主题: Re: [gmx-users] MD simulation of Glycoproteion 2011/12/14 陈应广 <525342...@qq.com>

[gmx-users] MD simulation of Glycoproteion

Dear gromacs users I used Gromacs in order to get a MD simulation of Glycoproteion.now I have got the Glycoproteion's PDB file,When I want to MD by GMX,it gave a Warnning:Fatal error: Residue ""not found in residue topology database. And I know it was because of the force field,I wa

[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 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] MD simulation of Glycoproteion

Dear gromacs users I used Gromacs in order to get a MD simulation of Glycoproteion.now I have got the Glycoproteion's PDB file,When I want to MD by GMX,it gave a Warnning:Fatal error: Residue ""not found in residue topology database. And I know it was because of the force field,I wa