combinig two trajectory files.

From: Yongjun Jiang <>
Date: Mon 2 Dec 2002 20:18:29 +0800

Dear all,

I have two trajectory files of molecular dynamics calculation. and I want to analyse them
together. Ptraj is used, ptraj script as following:

ptrajin md0.crd
ptrajin md1.crd
ptrajout md2.crd nobox

md2.crd was gotten. But I used carnal to measure RMSD, the error message was shown:

md2.crd : too many mumbers on box line for mdcrd format - bad coord file or carnal bug.

my input file of :
PARM p1 ;
STREAM s1 md2.crd ;
TABLE tab1 md_rms ;
GROUP gALL (RES 1-137);
RMS r1 FIT gALL s1;
TABLE tab1 r1;

How could I do? Thank you in advance.

              Yongjun Jiang
Received on Mon Dec 02 2002 - 04:18:29 PST
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