mdp控温参数是
tcoupl = V-rescale ; More accurate thermost
tc-grps = SOL SOL1 ; three coupling groups - more accurate
tau_t = 0.2 0.2 ; time constant, in ps
ref_t = 300 330 ; reference temperature, one for each group,
可以正常生成tpr文件，但是运行tpr文件会报错
报错如下：
The [molecules] section of your topology specifies more than one block of
a [moleculetype] with a [settles] block. Only one such is allowed.
If you are trying to partition your solvent into different *groups*
(e.g. for freezing, T-coupling, etc.), you are using the wrong approach. Index
files specify groups. Otherwise, you may wish to change the least-used
block of molecules with SETTLE constraints into 3 normal constraints