[gmx-users] invalid line
sarah k
dailycolors at gmail.com
Tue Apr 5 20:30:08 CEST 2011
dear gromacs users,
I'm solvating my protein in nitrogen box. I have changed my
spc216.gro, spc.itp and spce.itp files. I face the following error.
How can I fix it?
invalid line in /usr/share/gromacs/top/spc216.gro for atom 407:
0.41200 0.41200 0.41200
thanks in advance.
Best regards,
Fatemeh Keshavarz
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203N2,DRGJP01,SPC216,SPC-MODEL,300K,BOX(M)=1.86206NM,WFVG,MAR. 1984
430
1SOL N1 1 .230 .628 .113
1SOL N2 2 .137 .626 .150
2SOL N1 3 .225 .275 -.866
2SOL N2 4 .260 .258 -.774
3SOL N1 5 .019 .368 .647
3SOL N2 6 -.063 .411 .686
4SOL N1 7 .569 -.587 -.697
4SOL N2 8 .476 -.594 -.734
5SOL N1 9 -.307 -.351 .703
5SOL N2 10 -.364 -.367 .784
6SOL N1 11 -.119 .618 .856
6SOL N2 12 -.086 .712 .856
7SOL N1 13 -.727 .703 .717
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9SOL N1 17 .768 -.718 -.839
9SOL N2 18 .690 -.701 -.779
10SOL N1 19 .850 .798 -.039
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11SOL N1 21 .685 -.850 .665
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13SOL N1 25 .335 -.427 -.801
13SOL N2 27 .257 -.458 -.854
14SOL N1 28 -.402 -.357 -.523
14SOL N2 29 -.378 -.263 -.497
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16SOL N1 32 -.259 .447 .737
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203SOL N2 430 -.042 .102 -.591
0.41200 0.41200 0.41200
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