[gmx-users] Regarding KALP-15 Simulation

[Ravi Kumar Venkatraman]

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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