[gmx-users] about rtp and pdb

[K.A. Feenstra]

吴显辉 wrote:
> Hi, David,
> 
>    I have already created rtp file manaul. Would you please check it for 
> me,it's the first time I ever created rtp files.My polymer is 
> CH3CO-Xn-OCH2CH3.I have created three rtp files.One is CH3CO-, the other 
> is -X- residue,the last is -OCH2CH3.
> 
> [-X-]

[...snip...]

> Could tell me what kind of factor made me failure, rtp files format or 
> pdb file format?

The builing block labels in your .rtp file (in your case
for example '-X-') must correspond to *residue names*
in your .pdb file. That is the way pdb2gmx expects it.

-- 
Groetjes,

Anton
 ________ ___________________________________________________________
|        | Anton Feenstra                                            |
| .      | Dept. of Pharmacochemistry - Vrije Universiteit Amsterdam |
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