[gmx-users] no peak in rdf graph

zhuliang at tju.edu.cn zhuliang at tju.edu.cn
Mon Mar 10 10:46:58 CET 2008


Hi all:
    I have generated the gro and itp file with prodrg. The charge in the itp was
modified with lowdin charge of optimized structure. However, when perform a rdf
analysis, there is no peak in the rdf graph. Is there anyone have encountered
similar phenomena and how to cope with it? Thanks in advance!      





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