Dear All, *Sorry folks* without following the subsequent lines I came to wrong conclusion. But I got stuck with some other problem. After concatenating the dppc128 periodicity corrected box and kalp box the numbers indices of the atoms are not continuos so when I run the grompp command I am getting an error. Is there any easy way to correct those numbers in an easy way.
I am showing part of the final gro file to explain my problem clearly 16ALA CA 132 3.227 3.454 4.449 16ALA CB 133 3.160 3.571 4.374 16ALA C 134 3.130 3.393 4.550 16ALA O 135 3.149 3.408 4.670 17NH2 N 136 3.044 3.305 4.501 17NH2 H1 137 3.046 3.283 4.404 * 17NH2 H2 138 2.978 3.261 4.561** 1DPPC C1 1 1.577 5.265 0.920* 1DPPC C2 2 1.675 5.295 1.135 1DPPC C3 3 1.648 5.482 0.985 1DPPC N4 4 1.680 5.338 0.995 1DPPC C5 5 1.808 5.301 0.932 1DPPC C6 6 1.929 5.396 0.953 Thank you in Advance. *With Regards, Ravi Kumar Venkatraman, IPC Dept., IISc, Bangalore, INDIA. +91-9686933963.*
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