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Dear gmx users,<BR>
Through the manual, I learn of that both pdb2gmx and protonate can add H atoms according to the hdb files. About it, I have some puzzles as follows:<BR>
Are the two programs equivalent in adding H atoms? If it is yes, why bother to develop another program? It seems that protonate program can not generate partial atom charges, so after protonation, it still needs to do so.<BR>
Thanks a lot ahead for any reply.<BR>
<BR>
Best regards<BR>
Chaofu Wu<BR><br /><hr />立刻下载 MSN 保护盾，保障Messenger 安全稳定！ <a href='http://im.live.cn/safe/' target='_new'>现在就下载！</a></body>
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