[gmx-developers] Again about g_rdf

comcon1 at erg.biophys.msu.ru comcon1 at erg.biophys.msu.ru
Wed Jun 2 09:22:19 CEST 2010


Good morning! small questions about XDA)

In last git version sfactor.c is nice (compare to t_CM_table). But it
locates atom in crystallografic table according to its name, not by its
atomic number. For example, if I had hydrogen named "1H1" instead of "H11"
- it crashes. May be locating according to atomic number will be better?




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