[gmx-users] how can I get the .top file??

[Kiwoong Kim]

Dear members of gromacs



Let you know that I'm a beginner of Gromacs.



I am trying to simulate the diffusion problem on some zeolite structure. (especially ZSM-22)



>From the manual, I knew that the three files are required to get the .tpr input file.

I got the .pdb file of my concerned zeolite (zsm-22) but it is  impossible to get .top file by using the pdb2gmx because the .pdb file  is just coornate file.



Therefore, my question is how can I get the .top file??

I already tried the g_x2top -f zeo.pdb -o out.top -ff oplsaa 

but errors were shown 



"Can not find forcefield for atom ~~~~"



please let me know how to do it....



Thx.






Kiwoong, Kim.
No. 409/Ricci Hall/Dept. of Chemical & Biomolecular Engineering/
Sogang University/Sinsoo-Dong/Mapo-Gu/Seoul 121-742/ Korea
(office) +82-2-705-8477
(CP) +82-10-8714-2208
(fax) +82-2-3272-0319
(E-mail) kimkw at sogang.ac.kr

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