Problem solved! Thank you very much!
------------------ 原始邮件 ------------------
发件人: "jason.swails";<jason.swails.gmail.com>;
发送时间: 2015年2月5日(星期四) 晚上8:25
收件人: "AMBER Mailing List"<amber.ambermd.org>;
主题: Re: [AMBER] 回复： 回复： seek help
> On Feb 5, 2015, at 1:38 AM, 新生大侠 <390155909.qq.com> wrote:
>
> Dear Jason:
> Thank you very much and most of my problems were solved under your help. There is still one problem left when I want to save the prmtop file in tleap:
> "FATAL: Atom .R<DT 50>.A<HO3' 37> does not have a type”
This is the 3’-terminal hydrogen (normally the O3’ atom bonds to the phosphate of the next residue). You can find the name for this in all_nucleic94.lib as well, but you have to look in the DT3 residue (H3T).
You can also just delete the atom and let LEaP add it back.
-Jason
--
Jason M. Swails
BioMaPS,
Rutgers University
Postdoctoral Researcher
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Received on Thu Feb 05 2015 - 06:30:02 PST
