Thank your advance
I have check the residue names, in glyco parts, it
contain:NLN,2MA,6MA,WMB,4YB,0YB,XMA,0MA and so on.and I found the define of the
residue ,but the format of the define isn't adopt to the Gromacs 's .rtp file.
now I don't know how to do it, who can help me? thanking all
------------------ 原始邮件 ------------------
发件人: "Yun Shi"<yunsh...@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 users"<gmx-users@gromacs.org>;
主题: Re: [gmx-users] MD simulation of Glycoproteion
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 it was because of the force field,I want to know which force field
should be choose in GMX,And where I can get the force field?? Any suggestions?
I guess you have to check the residue names, especially those glyco parts,
which are probably not in the force field you chose.
That's all.
Thank you
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