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33 * GROningen Mixture of Alchemy and Childrens' Stories
46 void write_gms(FILE *fp,int natoms,rvec x[],matrix box)
51 for(i=0;(i<natoms);i++)
53 fprintf(fp,"%8.3f",x[i][j]);
63 fprintf(fp,"%8.3f%8.3f%8.3f\n",box[XX][XX],box[YY][YY],box[ZZ][ZZ]);
66 void write_gms_ndx(FILE *fp,int isize,atom_id index[],rvec x[],matrix box)
71 for(i=0;(i<isize);i++)
73 fprintf(fp,"%8.3f",x[index[i]][j]);
83 fprintf(fp,"%8.3f%8.3f%8.3f\n",box[XX][XX],box[YY][YY],box[ZZ][ZZ]);