[gmx-users] itp file for SPC water ?

[Rui Qiao]

Dear Gromacs-ers:
                                                      
                                       
 I noticed that in the 3.2 version, the SPC model
description is slightly differnt from 3.05, namely,
                                                      
                                       
        in 3.05, we have
        [ moleculetype ]
        ; molname       nrexcl
        SOL             1
                                                      
                                       
                                                      
                                       
        in 3.2, we have
        [ moleculetype ]
        ; molname       nrexcl
        SOL             2
                                                      
                                       
        Is there any difference here?
                                                      
                                       
        Thanks a lot.
                                                      
                                       
        sincererly,
                                                      
                                       
        Rui



	
		
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