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On 2/12/2010 12:30 AM, 铁锋 彭 wrote:
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<div>Hi, everyone</div>
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<div>I find that i used T and P coupling in water-air
interface, that is the reason my system imploded. </div>
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<div>So i changed to NVT. But there are still fatal
errors.</div>
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<div>I have some questions concerning .gro file.</div>
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<div>for example in spc216.gro, there are both + and -
psotions. But in other .gro file, all is + postion.</div>
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<div>What is the difference between .gro ?</div>
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<br>
If the system is periodic, what does the sign matter?<br>
<br>
Mark
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