I could not see any obvious errors in either the log files or the out files in angles1 or angles125. grompp.out reports no warning or error either, do I did not change the maxwarn parameter anyway. Any other suggestions ? Or should I post the output or log files ?
Then you have to do as it says and check the files in for example > angles1. Check whether grompp failed and if so why (grompp.out). You may > have to change the maxwarn parameter in the gmxtest.pl script. > >
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