<div dir="ltr">Hi Vitaly,<br> Thanks for your reply.<br>
Do fixed molecules have a temperature? What temperature is in fact?<br> Yeah, I want to give all fixed molecules a temperature. The temperature in left box is 253K, in right box is 283K. So there is 30K gradient between these two boxes. The middle ice should melt from right to left.<br>
<br> So, you mean to fix molecules and assign temperature can be found in manual?<br><br> BTW, could you suggest me any example to refer to ? Thanks.<br><br>Best<br>William<br> <br><br><br><br><br> <br>> How to give different and fixed temperature to fixed molecules?<br>
<br>
Do fixed molecules have a temperature? What temperature is in fact?<br>
<br>
<br>
To fix a part of the system in gromacs you should use the key<br>
'comm-grps'. Read the manual, please.<br>
<br>
To assign different temperatures to different objects you should read<br>
about using groups in gromacs.<br>
<br>
Best,<br>
Vitaly</div>