Hi, I am trying to convert a coarse grained protein to a full atom model after CGMD. I am using the modified gromacs_reverse code available from MARTINI site. I am using the following command:
g_fg2cg -pfg topol_fg.top -pcg pro_cg.top -n 0 -c pro_cg.gro -o full.gro But in the output full.gro all the atoms are having coordinate values as "0.00". My pro_cg.top file looks like: #define _FF_GROMOS96 #define _FF_GROMOS42A2 ;#define _FF_GROMACS ;#define _FF_GROMACS1 [ defaults ] ; nbfunc comb-rule gen-pairs fudgeLJ fudgeQQ 1 1 yes 0.125 0.5 #include "ffG43a2nb.itp" #include "ffG43a2bon.itp" Is this correct? where I am going wrong? I think the problem is with pro_cg.top file only. Any suggestion is welcome. Thanks, -Anirban
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