[gmx-users] MD simulation of Glycoproteion

2011-12-14 Thread 陈应广
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

[gmx-users] MD simulation of Glycoproteion

2011-12-14 Thread 陈应广
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

Re: [gmx-users] MD simulation of Glycoproteion

2011-12-14 Thread Yun Shi
2011/12/14 陈应广 525342...@qq.com ** 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

回复： [gmx-users] MD simulation of Glycoproteion

2011-12-14 Thread 陈应广
? thanking all -- 原始邮件 -- 发件人: Yun Shiyunsh...@gmail.com; 发送时间: 2011年12月15日(星期四) 上午10:48 收件人: Discussion list for GROMACS usersgmx-users@gromacs.org; 主题: Re: [gmx-users] MD simulation of Glycoproteion 2011/12/14 陈应广 525342...@qq.com Dear

Re: [gmx-users] MD simulation of Glycoproteion

2011-12-14 Thread Mark Abraham
On 15/12/2011 1:05 PM, ??? wrote: 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. So check out