"calling the 'total' program. If you do not have the total program,",
"get it. do_shift assumes that the total executable is in",
"[TT]/home/mdgroup/total/total[tt]. If that is not the case, then you should",
- "set an environment variable [BB]TOTAL[bb] as in: [PAR]",
- "[TT]setenv TOTAL /usr/local/bin/total[tt][PAR]",
+ "set an environment variable [BB]GMX_TOTAL[bb] as in: [PAR]",
+ "[TT]setenv GMX_TOTAL /usr/local/bin/total[tt][PAR]",
"where the right hand side should point to the total executable.[PAR]",
"Output is printed in files [TT]shift.out[tt] where t is the time of the frame.[PAR]",
"The program also needs an input file called [BB]random.dat[bb] which",
gmx_tmpnam(tmpfile);
fprintf(stderr,"pdbfile = %s\ntmpfile = %s\n",pdbfile,tmpfile);
- if ((dptr=getenv("TOTAL")) == NULL)
+ if ((dptr=getenv("GMX_TOTAL")) == NULL)
dptr="/home/mdgroup/total/total";
sprintf(total,"%s > /dev/null",dptr);
fprintf(stderr,"total cmd='%s'\n",total);