Hi, When attempting to use g_rdf to calculate the structure factor for a simple Argon liquid, I get the following error:
------------------------------------------------------- Program g_rdf_d, VERSION 3.3.3 Source code file: gmx_rdf.c, line: 622 Fatal error: Error: atom (Ar) not in list (5 types checked)! ------------------------------------------------------- I have looked through the archives and seen other users ask similar questions, but I was unable to find an answer in a reply. Is this a problem that can be solved by changing the input files that I supply to g_rdf, or will fixing this involve editing the source code for this analysis tool? Thanks in advance, John
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