[gmx-users] re: help for gromacs tools

bxiong bxiong at mail.shcnc.ac.cn
Thu Nov 28 02:03:45 CET 2002

Dear    David & all:
thanks, David. I write a small program to cat the all *.ego.pdb file to the one *.pdb , each has a MODEL 1(2,...) begin with the ATOM and end with ENDMDL. but I don't know how the gromacs tools work?
1,  is the tpr  necessary?  and I find the *.tpr can use other file format (such as pdb ....). If It can use the pdb format,  I think the question become easy.
2,  and if I provide a correct *.idx file. It can work well?
thank you !! 


Best regards for you!

       You may be disappointed if you fail, 
       but you are doomed if you don't try.

 Shanghai Institute of Materia Medica, Chinese Academy of sciences       
 	Drug Discovery Design Center 			
 	Bin Xiong
	bxiong at mail.shcnc.ac.cn     


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