[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!      

More information about the gromacs.org_gmx-users mailing list