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) [email protected]
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