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Hi! I am a very beginner, trying to make some dynamics of a protein in a water box, after doing some (web) tutorials. I googled first for this (possibly simple) error, found one reference, but cannot see it, possibly because the gromacs site is under changes. I ran pdb2gmx and editconf. Then at genbox I get the error: " Processing topology ------------------------------------------------------- Program genbox, VERSION 4.0.5 Source code file: futil.c, line: 330 File input/output error: RecA_nat_b4em.top ------------------------------------------------------- " The command line is: > genbox -cp ${MOL}_in_box.gro -cs -p ${MOL}_b4em.top -o ${MOL}_b4em.gro << eof > genbox.log eof with variable MOL set to RecA_nat The file RecA_nat_b4em.gro is output without problems. I am using gromacs 4.0.5 under openSuSE 11.1. Thanks, Jorge |
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